{"JVASP-1996": {"text": "NaI is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in an octahedral geometry to six equivalent I(1) atoms. All Na(1)\u2013I(1) bond lengths are 3.21 \u00c5. I(1) is bonded in an octahedral geometry to six equivalent Na(1) atoms.", "tokens": ["[CLS]", "NaI", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Na", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "I", "(", "1", ")", "atoms", ".", "All", "Na", "(", "1", ")", "\u2013", "I", "(", "1", ")", "bond", "lengths", "are", "3", ".", "21", "\u00c5", ".", "I", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Na", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-64377": {"text": "LiBa4Hf crystallizes in the cubic F-43m space group. In the Ba4Hf framework, Ba(1) is bonded in a distorted q6 geometry to six equivalent Ba(1) and three equivalent Hf(1) atoms. There are three shorter (3.60 \u00c5) and three longer (3.66 \u00c5) Ba(1)\u2013Ba(1) bond lengths. All Ba(1)\u2013Hf(1) bond lengths are 4.25 \u00c5. Hf(1) is bonded in a 12-coordinate geometry to twelve equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Li", "##Ba", "##4", "##Hf", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "In", "the", "Ba", "##4", "##Hf", "framework", ",", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "q", "##6", "geometry", "to", "six", "equivalent", "Ba", "(", "1", ")", "and", "three", "equivalent", "Hf", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "3", ".", "60", "\u00c5", ")", "and", "three", "longer", "(", "3", ".", "66", "\u00c5", ")", "Ba", "(", "1", ")", "\u2013", "Ba", "(", "1", ")", "bond", "lengths", ".", "All", "Ba", "(", "1", ")", "\u2013", "Hf", "(", "1", ")", "bond", "lengths", "are", "4", ".", "25", "\u00c5", ".", "Hf", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-18912": {"text": "MgY is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Y(1) atoms. All Mg(1)\u2013Y(1) bond lengths are 3.27 \u00c5. Y(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms.", "tokens": ["[CLS]", "Mg", "##Y", "is", "Tetra", "##au", "##ric", "##up", "##rid", "##e", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Y", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Y", "(", "1", ")", "bond", "lengths", "are", "3", ".", "27", "\u00c5", ".", "Y", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14756": {"text": "USb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. U(1) is bonded in an octahedral geometry to six equivalent Sb(1) atoms. All U(1)\u2013Sb(1) bond lengths are 3.10 \u00c5. Sb(1) is bonded in an octahedral geometry to six equivalent U(1) atoms.", "tokens": ["[CLS]", "US", "##b", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "U", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "U", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "10", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "U", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1390": {"text": "SrO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Sr(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sr(1)\u2013O(1) bond lengths are 2.59 \u00c5. O(1) is bonded in an octahedral geometry to six equivalent Sr(1) atoms.", "tokens": ["[CLS]", "SrO", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "59", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-3534": {"text": "BiOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent Cl(1) atoms. All Bi(1)\u2013O(1) bond lengths are 2.34 \u00c5. All Bi(1)\u2013Cl(1) bond lengths are 3.08 \u00c5. O(1) is bonded in a tetrahedral geometry to four equivalent Bi(1) atoms. Cl(1) is bonded in a 4-coordinate geometry to four equivalent Bi(1) atoms.", "tokens": ["[CLS]", "BiOCl", "is", "Mat", "##lock", "##ite", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "nm", "##m", "space", "group", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "and", "four", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "All", "Bi", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "34", "\u00c5", ".", "All", "Bi", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", "are", "3", ".", "08", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-50107": {"text": "Tb2O2Se crystallizes in the trigonal P-3m1 space group. Tb(1) is bonded in a 7-coordinate geometry to three equivalent Se(1) and four equivalent O(1) atoms. All Tb(1)\u2013Se(1) bond lengths are 2.98 \u00c5. All Tb(1)\u2013O(1) bond lengths are 2.30 \u00c5. Se(1) is bonded in an octahedral geometry to six equivalent Tb(1) atoms. O(1) is bonded in a tetrahedral geometry to four equivalent Tb(1) atoms.", "tokens": ["[CLS]", "Tb", "##2O", "##2S", "##e", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Tb", "(", "1", ")", "is", "bonded", "in", "a", "7", "-", "coordinate", "geometry", "to", "three", "equivalent", "Se", "(", "1", ")", "and", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Tb", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "98", "\u00c5", ".", "All", "Tb", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "30", "\u00c5", ".", "Se", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Tb", "(", "1", ")", "atoms", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Tb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-22645": {"text": "CdIn2Se4 crystallizes in the tetragonal I-42m space group. Cd(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. All Cd(1)\u2013Se(1) bond lengths are 2.68 \u00c5. In(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. All In(1)\u2013Se(1) bond lengths are 2.64 \u00c5. Se(1) is bonded in a trigonal non-coplanar geometry to one Cd(1) and two equivalent In(1) atoms.", "tokens": ["[CLS]", "Cd", "##In", "##2S", "##e", "##4", "crystallizes", "in", "the", "tetragonal", "I", "-", "42", "##m", "space", "group", ".", "Cd", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Cd", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "68", "\u00c5", ".", "In", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "In", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "64", "\u00c5", ".", "Se", "(", "1", ")", "is", "bonded", "in", "a", "trigonal", "non", "-", "coplanar", "geometry", "to", "one", "Cd", "(", "1", ")", "and", "two", "equivalent", "In", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-85272": {"text": "C3N4 crystallizes in the cubic P-43m space group. C(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. All C(1)\u2013N(1) bond lengths are 1.49 \u00c5. N(1) is bonded in a trigonal non-coplanar geometry to three equivalent C(1) atoms.", "tokens": ["[CLS]", "C3N4", "crystallizes", "in", "the", "cubic", "P", "-", "43", "##m", "space", "group", ".", "C", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "N", "(", "1", ")", "atoms", ".", "All", "C", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "1", ".", "49", "\u00c5", ".", "N", "(", "1", ")", "is", "bonded", "in", "a", "trigonal", "non", "-", "coplanar", "geometry", "to", "three", "equivalent", "C", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-3753": {"text": "VOCl crystallizes in the orthorhombic Pmmn space group. V(1) is bonded in a distorted octahedral geometry to four equivalent O(1) and two equivalent Cl(1) atoms. There are two shorter (1.96 \u00c5) and two longer (2.11 \u00c5) V(1)\u2013O(1) bond lengths. Both V(1)\u2013Cl(1) bond lengths are 2.37 \u00c5. O(1) is bonded in a distorted tetrahedral geometry to four equivalent V(1) atoms. Cl(1) is bonded in an L-shaped geometry to two equivalent V(1) atoms.", "tokens": ["[CLS]", "VOC", "##l", "crystallizes", "in", "the", "orthorhombic", "Pm", "##mn", "space", "group", ".", "V", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "and", "two", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "There", "are", "two", "shorter", "(", "1", ".", "96", "\u00c5", ")", "and", "two", "longer", "(", "2", ".", "11", "\u00c5", ")", "V", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", ".", "Both", "V", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", "are", "2", ".", "37", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "tetrahedral", "geometry", "to", "four", "equivalent", "V", "(", "1", ")", "atoms", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "an", "L", "-", "shaped", "geometry", "to", "two", "equivalent", "V", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-64019": {"text": "BeBa4Ti crystallizes in the cubic F-43m space group. In the Ba4Ti framework, Ba(1) is bonded in a distorted q6 geometry to six equivalent Ba(1) and three equivalent Ti(1) atoms. There are three shorter (3.50 \u00c5) and three longer (3.51 \u00c5) Ba(1)\u2013Ba(1) bond lengths. All Ba(1)\u2013Ti(1) bond lengths are 4.11 \u00c5. Ti(1) is bonded in a 12-coordinate geometry to twelve equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Be", "##Ba", "##4", "##Ti", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "In", "the", "Ba", "##4", "##Ti", "framework", ",", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "q", "##6", "geometry", "to", "six", "equivalent", "Ba", "(", "1", ")", "and", "three", "equivalent", "Ti", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "3", ".", "50", "\u00c5", ")", "and", "three", "longer", "(", "3", ".", "51", "\u00c5", ")", "Ba", "(", "1", ")", "\u2013", "Ba", "(", "1", ")", "bond", "lengths", ".", "All", "Ba", "(", "1", ")", "\u2013", "Ti", "(", "1", ")", "bond", "lengths", "are", "4", ".", "11", "\u00c5", ".", "Ti", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-42416": {"text": "Na4WO4 crystallizes in the tetragonal I4/m space group. Na(1) is bonded in a distorted trigonal bipyramidal geometry to five equivalent O(1) atoms. There are a spread of Na(1)\u2013O(1) bond distances ranging from 2.30\u20132.51 \u00c5. W(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All W(1)\u2013O(1) bond lengths are 1.91 \u00c5. O(1) is bonded in an octahedral geometry to five equivalent Na(1) and one W(1) atom.", "tokens": ["[CLS]", "Na", "##4", "##WO4", "crystallizes", "in", "the", "tetragonal", "I4", "/", "m", "space", "group", ".", "Na", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "trigonal", "bipyramidal", "geometry", "to", "five", "equivalent", "O", "(", "1", ")", "atoms", ".", "There", "are", "a", "spread", "of", "Na", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "distances", "ranging", "from", "2", ".", "30", "\u2013", "2", ".", "51", "\u00c5", ".", "W", "(", "1", ")", "is", "bonded", "in", "a", "square", "co", "-", "planar", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "W", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "91", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "five", "equivalent", "Na", "(", "1", ")", "and", "one", "W", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-14699": {"text": "MnTe is Modderite-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded in a distorted octahedral geometry to six equivalent Te(1) atoms. All Mn(1)\u2013Te(1) bond lengths are 2.85 \u00c5. Te(1) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms.", "tokens": ["[CLS]", "Mn", "##Te", "is", "Mod", "##der", "##ite", "-", "like", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "Mn", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "six", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Mn", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "2", ".", "85", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "six", "equivalent", "Mn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-38157": {"text": "Rb4NO is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent O(1) atoms. Both Rb(1)\u2013N(1) bond lengths are 3.02 \u00c5. Both Rb(1)\u2013O(1) bond lengths are 2.97 \u00c5. N(1) is bonded in a body-centered cubic geometry to eight equivalent Rb(1) atoms. O(1) is bonded in a body-centered cubic geometry to eight equivalent Rb(1) atoms.", "tokens": ["[CLS]", "Rb", "##4N", "##O", "is", "Fluor", "##ite", "-", "derived", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "two", "equivalent", "N", "(", "1", ")", "and", "two", "equivalent", "O", "(", "1", ")", "atoms", ".", "Both", "Rb", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "3", ".", "02", "\u00c5", ".", "Both", "Rb", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "97", "\u00c5", ".", "N", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Rb", "(", "1", ")", "atoms", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Rb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-2133": {"text": "HgO crystallizes in the orthorhombic Pnma space group. Hg(1) is bonded in a linear geometry to two equivalent O(1) atoms. There is one shorter (2.06 \u00c5) and one longer (2.07 \u00c5) Hg(1)\u2013O(1) bond length. O(1) is bonded in a water-like geometry to two equivalent Hg(1) atoms.", "tokens": ["[CLS]", "Hg", "##O", "crystallizes", "in", "the", "orthorhombic", "Pn", "##ma", "space", "group", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "O", "(", "1", ")", "atoms", ".", "There", "is", "one", "shorter", "(", "2", ".", "06", "\u00c5", ")", "and", "one", "longer", "(", "2", ".", "07", "\u00c5", ")", "Hg", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "length", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "water", "-", "like", "geometry", "to", "two", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-98373": {"text": "Tl(ZnSb)2 is Sulvanite-like structured and crystallizes in the tetragonal I4cm space group. In the ZnSb framework, Zn(1) is bonded in a tetrahedral geometry to four equivalent Sb(1) atoms. There are a spread of Zn(1)\u2013Sb(1) bond distances ranging from 2.67\u20132.74 \u00c5. Sb(1) is bonded in a tetrahedral geometry to four equivalent Zn(1) atoms.", "tokens": ["[CLS]", "Tl", "(", "ZnS", "##b", ")", "2", "is", "Su", "##l", "##van", "##ite", "-", "like", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I4", "##cm", "space", "group", ".", "In", "the", "ZnS", "##b", "framework", ",", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "There", "are", "a", "spread", "of", "Zn", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "distances", "ranging", "from", "2", ".", "67", "\u2013", "2", ".", "74", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-64999": {"text": "BeIr(Br)4 crystallizes in the cubic F-43m space group. In the Br framework, Br(1) is bonded in a 6-coordinate geometry to six equivalent Br(1) atoms. There are three shorter (3.00 \u00c5) and three longer (3.05 \u00c5) Br(1)\u2013Br(1) bond lengths.", "tokens": ["[CLS]", "Be", "##Ir", "(", "Br", ")", "4", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "In", "the", "Br", "framework", ",", "Br", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "six", "equivalent", "Br", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "3", ".", "00", "\u00c5", ")", "and", "three", "longer", "(", "3", ".", "05", "\u00c5", ")", "Br", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-15348": {"text": "AlBeB is half-Heusler structured and crystallizes in the cubic F-43m space group. Be(1) is bonded in a tetrahedral geometry to four equivalent B(1) atoms. All Be(1)\u2013B(1) bond lengths are 2.15 \u00c5. Al(1) is bonded in a tetrahedral geometry to four equivalent B(1) atoms. All Al(1)\u2013B(1) bond lengths are 2.15 \u00c5. B(1) is bonded in a body-centered cubic geometry to four equivalent Be(1) and four equivalent Al(1) atoms.", "tokens": ["[CLS]", "Al", "##Be", "##B", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "B", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "B", "(", "1", ")", "bond", "lengths", "are", "2", ".", "15", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "B", "(", "1", ")", "atoms", ".", "All", "Al", "(", "1", ")", "\u2013", "B", "(", "1", ")", "bond", "lengths", "are", "2", ".", "15", "\u00c5", ".", "B", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Be", "(", "1", ")", "and", "four", "equivalent", "Al", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-88846": {"text": "Eu is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. Eu(1) is bonded in a cuboctahedral geometry to twelve equivalent Eu(1) atoms. There are six shorter (3.55 \u00c5) and six longer (3.61 \u00c5) Eu(1)\u2013Eu(1) bond lengths.", "tokens": ["[CLS]", "Eu", "is", "Magne", "##si", "##um", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "Eu", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Eu", "(", "1", ")", "atoms", ".", "There", "are", "six", "shorter", "(", "3", ".", "55", "\u00c5", ")", "and", "six", "longer", "(", "3", ".", "61", "\u00c5", ")", "Eu", "(", "1", ")", "\u2013", "Eu", "(", "1", ")", "bond", "lengths", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-64225": {"text": "BeBa4Sc crystallizes in the cubic F-43m space group. In the Ba4Sc framework, Ba(1) is bonded in a distorted q6 geometry to six equivalent Ba(1) and three equivalent Sc(1) atoms. There are three shorter (3.56 \u00c5) and three longer (3.59 \u00c5) Ba(1)\u2013Ba(1) bond lengths. All Ba(1)\u2013Sc(1) bond lengths are 4.19 \u00c5. Sc(1) is bonded in a 12-coordinate geometry to twelve equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Be", "##Ba", "##4", "##Sc", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "In", "the", "Ba", "##4", "##Sc", "framework", ",", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "q", "##6", "geometry", "to", "six", "equivalent", "Ba", "(", "1", ")", "and", "three", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "3", ".", "56", "\u00c5", ")", "and", "three", "longer", "(", "3", ".", "59", "\u00c5", ")", "Ba", "(", "1", ")", "\u2013", "Ba", "(", "1", ")", "bond", "lengths", ".", "All", "Ba", "(", "1", ")", "\u2013", "Sc", "(", "1", ")", "bond", "lengths", "are", "4", ".", "19", "\u00c5", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-3336": {"text": "Dy2TeO2 crystallizes in the tetragonal I4/mmm space group. Dy(1) is bonded in a 4-coordinate geometry to four equivalent Te(1) and four equivalent O(1) atoms. All Dy(1)\u2013Te(1) bond lengths are 3.42 \u00c5. All Dy(1)\u2013O(1) bond lengths are 2.25 \u00c5. Te(1) is bonded in a body-centered cubic geometry to eight equivalent Dy(1) atoms. O(1) is bonded in a tetrahedral geometry to four equivalent Dy(1) atoms.", "tokens": ["[CLS]", "Dy", "##2", "##Te", "##O2", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "Dy", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Te", "(", "1", ")", "and", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Dy", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "3", ".", "42", "\u00c5", ".", "All", "Dy", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "25", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Dy", "(", "1", ")", "atoms", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Dy", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-14624": {"text": "Ho is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. Ho(1) is bonded in a cuboctahedral geometry to twelve equivalent Ho(1) atoms. There are six shorter (3.45 \u00c5) and six longer (3.55 \u00c5) Ho(1)\u2013Ho(1) bond lengths.", "tokens": ["[CLS]", "Ho", "is", "Magne", "##si", "##um", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "Ho", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Ho", "(", "1", ")", "atoms", ".", "There", "are", "six", "shorter", "(", "3", ".", "45", "\u00c5", ")", "and", "six", "longer", "(", "3", ".", "55", "\u00c5", ")", "Ho", "(", "1", ")", "\u2013", "Ho", "(", "1", ")", "bond", "lengths", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-65009": {"text": "BeNbBi4 crystallizes in the cubic F-43m space group. In the NbBi4 framework, Nb(1) is bonded in a 12-coordinate geometry to twelve equivalent Bi(1) atoms. All Nb(1)\u2013Bi(1) bond lengths are 3.71 \u00c5. Bi(1) is bonded in a q6 geometry to three equivalent Nb(1) and six equivalent Bi(1) atoms. All Bi(1)\u2013Bi(1) bond lengths are 3.16 \u00c5.", "tokens": ["[CLS]", "Be", "##Nb", "##Bi", "##4", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "In", "the", "Nb", "##Bi", "##4", "framework", ",", "Nb", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "All", "Nb", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "3", ".", "71", "\u00c5", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "q", "##6", "geometry", "to", "three", "equivalent", "Nb", "(", "1", ")", "and", "six", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "All", "Bi", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "3", ".", "16", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-86109": {"text": "Th2Ga is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. Th(1) is bonded in a 4-coordinate geometry to four equivalent Ga(1) atoms. All Th(1)\u2013Ga(1) bond lengths are 3.19 \u00c5. Ga(1) is bonded in a 10-coordinate geometry to eight equivalent Th(1) and two equivalent Ga(1) atoms. Both Ga(1)\u2013Ga(1) bond lengths are 2.98 \u00c5.", "tokens": ["[CLS]", "Th", "##2", "##Ga", "is", "Kh", "##at", "##yr", "##ki", "##te", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mc", "##m", "space", "group", ".", "Th", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Th", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "19", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "10", "-", "coordinate", "geometry", "to", "eight", "equivalent", "Th", "(", "1", ")", "and", "two", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "Both", "Ga", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "2", ".", "98", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-65150": {"text": "BeK4Rh crystallizes in the cubic F-43m space group. In the K4Rh framework, K(1) is bonded in a 9-coordinate geometry to six equivalent K(1) and three equivalent Rh(1) atoms. There are three shorter (3.23 \u00c5) and three longer (3.26 \u00c5) K(1)\u2013K(1) bond lengths. All K(1)\u2013Rh(1) bond lengths are 3.80 \u00c5. Rh(1) is bonded in a 12-coordinate geometry to twelve equivalent K(1) atoms.", "tokens": ["[CLS]", "Be", "##K4", "##Rh", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "In", "the", "K4", "##Rh", "framework", ",", "K", "(", "1", ")", "is", "bonded", "in", "a", "9", "-", "coordinate", "geometry", "to", "six", "equivalent", "K", "(", "1", ")", "and", "three", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "3", ".", "23", "\u00c5", ")", "and", "three", "longer", "(", "3", ".", "26", "\u00c5", ")", "K", "(", "1", ")", "\u2013", "K", "(", "1", ")", "bond", "lengths", ".", "All", "K", "(", "1", ")", "\u2013", "Rh", "(", "1", ")", "bond", "lengths", "are", "3", ".", "80", "\u00c5", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "K", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-65057": {"text": "BeMg4Ti crystallizes in the cubic F-43m space group. In the Mg4Ti framework, Mg(1) is bonded in a distorted q6 geometry to six equivalent Mg(1) and three equivalent Ti(1) atoms. There are three shorter (2.77 \u00c5) and three longer (2.79 \u00c5) Mg(1)\u2013Mg(1) bond lengths. All Mg(1)\u2013Ti(1) bond lengths are 3.26 \u00c5. Ti(1) is bonded in a 12-coordinate geometry to twelve equivalent Mg(1) atoms.", "tokens": ["[CLS]", "Be", "##Mg", "##4", "##Ti", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "In", "the", "Mg", "##4", "##Ti", "framework", ",", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "q", "##6", "geometry", "to", "six", "equivalent", "Mg", "(", "1", ")", "and", "three", "equivalent", "Ti", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "2", ".", "77", "\u00c5", ")", "and", "three", "longer", "(", "2", ".", "79", "\u00c5", ")", "Mg", "(", "1", ")", "\u2013", "Mg", "(", "1", ")", "bond", "lengths", ".", "All", "Mg", "(", "1", ")", "\u2013", "Ti", "(", "1", ")", "bond", "lengths", "are", "3", ".", "26", "\u00c5", ".", "Ti", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14587": {"text": "Hf is Tungsten structured and crystallizes in the cubic Im-3m space group. Hf(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Hf(1) atoms. All Hf(1)\u2013Hf(1) bond lengths are 3.05 \u00c5.", "tokens": ["[CLS]", "Hf", "is", "Tun", "##gst", "##en", "structured", "and", "crystallizes", "in", "the", "cubic", "Im", "-", "3m", "space", "group", ".", "Hf", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Hf", "(", "1", ")", "atoms", ".", "All", "Hf", "(", "1", ")", "\u2013", "Hf", "(", "1", ")", "bond", "lengths", "are", "3", ".", "05", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-5536": {"text": "Cu2SO4 crystallizes in the orthorhombic Fddd space group. Cu(1) is bonded in a distorted linear geometry to four equivalent O(1) atoms. There are two shorter (1.91 \u00c5) and two longer (2.57 \u00c5) Cu(1)\u2013O(1) bond lengths. S(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All S(1)\u2013O(1) bond lengths are 1.49 \u00c5. O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one S(1) atom.", "tokens": ["[CLS]", "Cu2S", "##O4", "crystallizes", "in", "the", "orthorhombic", "Fd", "##dd", "space", "group", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "linear", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "There", "are", "two", "shorter", "(", "1", ".", "91", "\u00c5", ")", "and", "two", "longer", "(", "2", ".", "57", "\u00c5", ")", "Cu", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", ".", "S", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "S", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "49", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "two", "equivalent", "Cu", "(", "1", ")", "and", "one", "S", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-62756": {"text": "BN is Boron Nitride structured and crystallizes in the hexagonal P6_3/mmc space group. B(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. All B(1)\u2013N(1) bond lengths are 1.45 \u00c5. N(1) is bonded in a trigonal planar geometry to three equivalent B(1) atoms.", "tokens": ["[CLS]", "BN", "is", "Bor", "##on", "Nitr", "##ide", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "B", "(", "1", ")", "is", "bonded", "in", "a", "trigonal", "planar", "geometry", "to", "three", "equivalent", "N", "(", "1", ")", "atoms", ".", "All", "B", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "1", ".", "45", "\u00c5", ".", "N", "(", "1", ")", "is", "bonded", "in", "a", "trigonal", "planar", "geometry", "to", "three", "equivalent", "B", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-12112": {"text": "ScOBr crystallizes in the orthorhombic Pmmn space group. Sc(1) is bonded in a 6-coordinate geometry to four equivalent O(1) and two equivalent Br(1) atoms. There are two shorter (2.09 \u00c5) and two longer (2.16 \u00c5) Sc(1)\u2013O(1) bond lengths. Both Sc(1)\u2013Br(1) bond lengths are 2.66 \u00c5. O(1) is bonded in a tetrahedral geometry to four equivalent Sc(1) atoms. Br(1) is bonded in an L-shaped geometry to two equivalent Sc(1) atoms.", "tokens": ["[CLS]", "Sc", "##OB", "##r", "crystallizes", "in", "the", "orthorhombic", "Pm", "##mn", "space", "group", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "and", "two", "equivalent", "Br", "(", "1", ")", "atoms", ".", "There", "are", "two", "shorter", "(", "2", ".", "09", "\u00c5", ")", "and", "two", "longer", "(", "2", ".", "16", "\u00c5", ")", "Sc", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", ".", "Both", "Sc", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "2", ".", "66", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "Br", "(", "1", ")", "is", "bonded", "in", "an", "L", "-", "shaped", "geometry", "to", "two", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-12166": {"text": "HoOBr crystallizes in the trigonal R-3m space group. Ho(1) is bonded in a 7-coordinate geometry to four equivalent O(1) and three equivalent Br(1) atoms. All Ho(1)\u2013O(1) bond lengths are 2.27 \u00c5. All Ho(1)\u2013Br(1) bond lengths are 2.92 \u00c5. O(1) is bonded in a tetrahedral geometry to four equivalent Ho(1) atoms. Br(1) is bonded in a 3-coordinate geometry to three equivalent Ho(1) atoms.", "tokens": ["[CLS]", "Ho", "##OB", "##r", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Ho", "(", "1", ")", "is", "bonded", "in", "a", "7", "-", "coordinate", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "and", "three", "equivalent", "Br", "(", "1", ")", "atoms", ".", "All", "Ho", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "27", "\u00c5", ".", "All", "Ho", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "2", ".", "92", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ho", "(", "1", ")", "atoms", ".", "Br", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "Ho", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-14591": {"text": "Sb is alpha As structured and crystallizes in the trigonal R-3m space group. Sb(1) is bonded in a distorted octahedral geometry to six equivalent Sb(1) atoms. There are three shorter (2.96 \u00c5) and three longer (3.44 \u00c5) Sb(1)\u2013Sb(1) bond lengths.", "tokens": ["[CLS]", "Sb", "is", "alpha", "As", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "six", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "2", ".", "96", "\u00c5", ")", "and", "three", "longer", "(", "3", ".", "44", "\u00c5", ")", "Sb", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-28399": {"text": "WS2 is Molybdenite-like structured and crystallizes in the trigonal P-3m1 space group. W(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent S(1,2) atoms. All W(1)\u2013S(1,2) bond lengths are 2.42 \u00c5. S(1,2) is bonded in a distorted T-shaped geometry to three equivalent W(1) atoms.", "tokens": ["[CLS]", "WS2", "is", "Mol", "##yb", "##denite", "-", "like", "structured", "and", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "W", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "pyramidal", "geometry", "to", "six", "equivalent", "S", "(", "1", ",", "2", ")", "atoms", ".", "All", "W", "(", "1", ")", "\u2013", "S", "(", "1", ",", "2", ")", "bond", "lengths", "are", "2", ".", "42", "\u00c5", ".", "S", "(", "1", ",", "2", ")", "is", "bonded", "in", "a", "distorted", "T", "-", "shaped", "geometry", "to", "three", "equivalent", "W", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-86869": {"text": "EuCl3 crystallizes in the hexagonal P6_3/m space group. Eu(1) is bonded in a 9-coordinate geometry to nine equivalent Cl(1) atoms. There are six shorter (2.84 \u00c5) and three longer (2.90 \u00c5) Eu(1)\u2013Cl(1) bond lengths. Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent Eu(1) atoms.", "tokens": ["[CLS]", "Eu", "##Cl3", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "m", "space", "group", ".", "Eu", "(", "1", ")", "is", "bonded", "in", "a", "9", "-", "coordinate", "geometry", "to", "nine", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "There", "are", "six", "shorter", "(", "2", ".", "84", "\u00c5", ")", "and", "three", "longer", "(", "2", ".", "90", "\u00c5", ")", "Eu", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "a", "trigonal", "non", "-", "coplanar", "geometry", "to", "three", "equivalent", "Eu", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-68998": {"text": "BaSrY2 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent Y(1) atoms. All Ba(1)\u2013Y(1) bond lengths are 3.86 \u00c5. Sr(1) is bonded in a body-centered cubic geometry to eight equivalent Y(1) atoms. All Sr(1)\u2013Y(1) bond lengths are 3.66 \u00c5. Y(1) is bonded in a body-centered cubic geometry to four equivalent Ba(1) and four equivalent Sr(1) atoms.", "tokens": ["[CLS]", "Ba", "##Sr", "##Y2", "is", "Heusler", "-", "like", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Y", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Y", "(", "1", ")", "bond", "lengths", "are", "3", ".", "86", "\u00c5", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Y", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "Y", "(", "1", ")", "bond", "lengths", "are", "3", ".", "66", "\u00c5", ".", "Y", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "and", "four", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-69040": {"text": "Ba2MgTe is Heusler structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Te(1) atoms. All Ba(1)\u2013Mg(1) bond lengths are 3.68 \u00c5. All Ba(1)\u2013Te(1) bond lengths are 3.68 \u00c5. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms. Te(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba2", "##Mg", "##Te", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Mg", "(", "1", ")", "and", "four", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Mg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "68", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "3", ".", "68", "\u00c5", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Te", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-65631": {"text": "Ba2SnCl is Heusler structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Sn(1) and four equivalent Cl(1) atoms. All Ba(1)\u2013Sn(1) bond lengths are 3.61 \u00c5. All Ba(1)\u2013Cl(1) bond lengths are 3.61 \u00c5. Sn(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms. Cl(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba2", "##Sn", "##Cl", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Sn", "(", "1", ")", "and", "four", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Sn", "(", "1", ")", "bond", "lengths", "are", "3", ".", "61", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", "are", "3", ".", "61", "\u00c5", ".", "Sn", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-16048": {"text": "CaSi2 is hexagonal omega structure structured and crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded in an octahedral geometry to six equivalent Si(1) atoms. All Ca(1)\u2013Si(1) bond lengths are 3.03 \u00c5. Si(1) is bonded in a distorted octahedral geometry to three equivalent Ca(1) and three equivalent Si(1) atoms. All Si(1)\u2013Si(1) bond lengths are 2.42 \u00c5.", "tokens": ["[CLS]", "Ca", "##Si2", "is", "hexagonal", "omega", "structure", "structured", "and", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Si", "(", "1", ")", "atoms", ".", "All", "Ca", "(", "1", ")", "\u2013", "Si", "(", "1", ")", "bond", "lengths", "are", "3", ".", "03", "\u00c5", ".", "Si", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "three", "equivalent", "Ca", "(", "1", ")", "and", "three", "equivalent", "Si", "(", "1", ")", "atoms", ".", "All", "Si", "(", "1", ")", "\u2013", "Si", "(", "1", ")", "bond", "lengths", "are", "2", ".", "42", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66051": {"text": "BaCaSe is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Ca(1) and four equivalent Se(1) atoms. All Ba(1)\u2013Ca(1) bond lengths are 3.46 \u00c5. All Ba(1)\u2013Se(1) bond lengths are 3.46 \u00c5. Ca(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Se(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##Ca", "##Se", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Ca", "(", "1", ")", "and", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Ca", "(", "1", ")", "bond", "lengths", "are", "3", ".", "46", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "3", ".", "46", "\u00c5", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Se", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66126": {"text": "BaCaHg is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Ca(1) and four equivalent Hg(1) atoms. All Ba(1)\u2013Ca(1) bond lengths are 3.41 \u00c5. All Ba(1)\u2013Hg(1) bond lengths are 3.41 \u00c5. Ca(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Hg(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##Ca", "##Hg", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Ca", "(", "1", ")", "and", "four", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Ca", "(", "1", ")", "bond", "lengths", "are", "3", ".", "41", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Hg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "41", "\u00c5", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-65635": {"text": "Ba2MgGa is Heusler structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Ga(1) atoms. All Ba(1)\u2013Mg(1) bond lengths are 3.63 \u00c5. All Ba(1)\u2013Ga(1) bond lengths are 3.63 \u00c5. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms. Ga(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba2", "##Mg", "##Ga", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Mg", "(", "1", ")", "and", "four", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Mg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "63", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "63", "\u00c5", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-43552": {"text": "FeO crystallizes in the tetragonal P4_2/mmc space group. Fe(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Fe(1)\u2013O(1) bond lengths are 1.91 \u00c5. O(1) is bonded in a distorted tetrahedral geometry to four equivalent Fe(1) atoms.", "tokens": ["[CLS]", "FeO", "crystallizes", "in", "the", "tetragonal", "P4", "_", "2", "/", "mm", "##c", "space", "group", ".", "Fe", "(", "1", ")", "is", "bonded", "in", "a", "square", "co", "-", "planar", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Fe", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "91", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "tetrahedral", "geometry", "to", "four", "equivalent", "Fe", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-22699": {"text": "BiOF is Fluorite-derived structured and crystallizes in the tetragonal P4/nmm space group. Bi(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent F(1) atoms. All Bi(1)\u2013O(1) bond lengths are 2.36 \u00c5. All Bi(1)\u2013F(1) bond lengths are 2.59 \u00c5. O(1) is bonded in a tetrahedral geometry to four equivalent Bi(1) atoms. F(1) is bonded in a tetrahedral geometry to four equivalent Bi(1) atoms.", "tokens": ["[CLS]", "BiO", "##F", "is", "Fluor", "##ite", "-", "derived", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "nm", "##m", "space", "group", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "and", "four", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Bi", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "36", "\u00c5", ".", "All", "Bi", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "59", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-14831": {"text": "Si is beta Sn structured and crystallizes in the tetragonal I4_1/amd space group. Si(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. There are four shorter (2.52 \u00c5) and two longer (2.71 \u00c5) Si(1)\u2013Si(1) bond lengths.", "tokens": ["[CLS]", "Si", "is", "beta", "Sn", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I4", "_", "1", "/", "am", "##d", "space", "group", ".", "Si", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "six", "equivalent", "Si", "(", "1", ")", "atoms", ".", "There", "are", "four", "shorter", "(", "2", ".", "52", "\u00c5", ")", "and", "two", "longer", "(", "2", ".", "71", "\u00c5", ")", "Si", "(", "1", ")", "\u2013", "Si", "(", "1", ")", "bond", "lengths", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66140": {"text": "BaSeBr is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Se(1) and four equivalent Br(1) atoms. All Ba(1)\u2013Se(1) bond lengths are 3.34 \u00c5. All Ba(1)\u2013Br(1) bond lengths are 3.34 \u00c5. Se(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Br(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##Se", "##Br", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "and", "four", "equivalent", "Br", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "3", ".", "34", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "3", ".", "34", "\u00c5", ".", "Se", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Br", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-69126": {"text": "Ba2ScBi is Heusler structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Sc(1) and four equivalent Bi(1) atoms. All Ba(1)\u2013Sc(1) bond lengths are 3.70 \u00c5. All Ba(1)\u2013Bi(1) bond lengths are 3.70 \u00c5. Sc(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms. Bi(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba2", "##Sc", "##Bi", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Sc", "(", "1", ")", "and", "four", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Sc", "(", "1", ")", "bond", "lengths", "are", "3", ".", "70", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "3", ".", "70", "\u00c5", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-91581": {"text": "AuSm is alpha-derived structured and crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 7-coordinate geometry to seven equivalent Au(1) atoms. There are a spread of Sm(1)\u2013Au(1) bond distances ranging from 3.02\u20133.15 \u00c5. Au(1) is bonded in a 7-coordinate geometry to seven equivalent Sm(1) atoms.", "tokens": ["[CLS]", "Au", "##Sm", "is", "alpha", "-", "derived", "structured", "and", "crystallizes", "in", "the", "orthorhombic", "Pn", "##ma", "space", "group", ".", "Sm", "(", "1", ")", "is", "bonded", "in", "a", "7", "-", "coordinate", "geometry", "to", "seven", "equivalent", "Au", "(", "1", ")", "atoms", ".", "There", "are", "a", "spread", "of", "Sm", "(", "1", ")", "\u2013", "Au", "(", "1", ")", "bond", "distances", "ranging", "from", "3", ".", "02", "\u2013", "3", ".", "15", "\u00c5", ".", "Au", "(", "1", ")", "is", "bonded", "in", "a", "7", "-", "coordinate", "geometry", "to", "seven", "equivalent", "Sm", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66106": {"text": "BaInBi is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent In(1) and four equivalent Bi(1) atoms. All Ba(1)\u2013In(1) bond lengths are 3.47 \u00c5. All Ba(1)\u2013Bi(1) bond lengths are 3.47 \u00c5. In(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Bi(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##In", "##Bi", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "In", "(", "1", ")", "and", "four", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "3", ".", "47", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "3", ".", "47", "\u00c5", ".", "In", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-65537": {"text": "Ba2NbTl is Heusler structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Nb(1) and four equivalent Tl(1) atoms. All Ba(1)\u2013Nb(1) bond lengths are 3.61 \u00c5. All Ba(1)\u2013Tl(1) bond lengths are 3.61 \u00c5. Nb(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms. Tl(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba2", "##Nb", "##T", "##l", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Nb", "(", "1", ")", "and", "four", "equivalent", "Tl", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Nb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "61", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Tl", "(", "1", ")", "bond", "lengths", "are", "3", ".", "61", "\u00c5", ".", "Nb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Tl", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-3882": {"text": "(Tl)2TeCl6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. In each TeCl6 cluster, Te(1) is bonded in an octahedral geometry to six equivalent Cl(1) atoms. All Te(1)\u2013Cl(1) bond lengths are 2.56 \u00c5. Cl(1) is bonded in a single-bond geometry to one Te(1) atom.", "tokens": ["[CLS]", "(", "Tl", ")", "2T", "##e", "##Cl6", "is", "Fluor", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "In", "each", "Te", "##Cl6", "cluster", ",", "Te", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "All", "Te", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", "are", "2", ".", "56", "\u00c5", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "a", "single", "-", "bond", "geometry", "to", "one", "Te", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-69016": {"text": "Ba2ScHg is Heusler structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Sc(1) and four equivalent Hg(1) atoms. All Ba(1)\u2013Sc(1) bond lengths are 3.63 \u00c5. All Ba(1)\u2013Hg(1) bond lengths are 3.63 \u00c5. Sc(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms. Hg(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba2", "##Sc", "##Hg", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Sc", "(", "1", ")", "and", "four", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Sc", "(", "1", ")", "bond", "lengths", "are", "3", ".", "63", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Hg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "63", "\u00c5", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66541": {"text": "NaBaGa is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. All Na(1)\u2013Ba(1) bond lengths are 3.39 \u00c5. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Na(1) and four equivalent Ga(1) atoms. All Ba(1)\u2013Ga(1) bond lengths are 3.39 \u00c5. Ga(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Na", "##Ba", "##Ga", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Na", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "All", "Na", "(", "1", ")", "\u2013", "Ba", "(", "1", ")", "bond", "lengths", "are", "3", ".", "39", "\u00c5", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Na", "(", "1", ")", "and", "four", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "39", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-87074": {"text": "SF6 is Tungsten structured and crystallizes in the cubic Im-3m space group. S(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All S(1)\u2013F(1) bond lengths are 1.59 \u00c5. F(1) is bonded in a single-bond geometry to one S(1) atom.", "tokens": ["[CLS]", "SF6", "is", "Tun", "##gst", "##en", "structured", "and", "crystallizes", "in", "the", "cubic", "Im", "-", "3m", "space", "group", ".", "S", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "S", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "59", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "single", "-", "bond", "geometry", "to", "one", "S", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-66584": {"text": "BaNbCl is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Nb(1) and four equivalent Cl(1) atoms. All Ba(1)\u2013Nb(1) bond lengths are 3.37 \u00c5. All Ba(1)\u2013Cl(1) bond lengths are 3.37 \u00c5. Nb(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Cl(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##Nb", "##Cl", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Nb", "(", "1", ")", "and", "four", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Nb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "37", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", "are", "3", ".", "37", "\u00c5", ".", "Nb", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66624": {"text": "BaNbTl is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Nb(1) and four equivalent Tl(1) atoms. All Ba(1)\u2013Nb(1) bond lengths are 3.34 \u00c5. All Ba(1)\u2013Tl(1) bond lengths are 3.34 \u00c5. Nb(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Tl(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##Nb", "##T", "##l", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Nb", "(", "1", ")", "and", "four", "equivalent", "Tl", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Nb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "34", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Tl", "(", "1", ")", "bond", "lengths", "are", "3", ".", "34", "\u00c5", ".", "Nb", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Tl", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66084": {"text": "KBaBe is half-Heusler structured and crystallizes in the cubic F-43m space group. K(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. All K(1)\u2013Ba(1) bond lengths are 3.42 \u00c5. Ba(1) is bonded in a body-centered cubic geometry to four equivalent K(1) and four equivalent Be(1) atoms. All Ba(1)\u2013Be(1) bond lengths are 3.42 \u00c5. Be(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "KB", "##a", "##Be", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "K", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "All", "K", "(", "1", ")", "\u2013", "Ba", "(", "1", ")", "bond", "lengths", "are", "3", ".", "42", "\u00c5", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "K", "(", "1", ")", "and", "four", "equivalent", "Be", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Be", "(", "1", ")", "bond", "lengths", "are", "3", ".", "42", "\u00c5", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66661": {"text": "BaBiTe is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Bi(1) and four equivalent Te(1) atoms. All Ba(1)\u2013Bi(1) bond lengths are 3.50 \u00c5. All Ba(1)\u2013Te(1) bond lengths are 3.50 \u00c5. Bi(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Te(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##Bi", "##Te", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Bi", "(", "1", ")", "and", "four", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "3", ".", "50", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "3", ".", "50", "\u00c5", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Te", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66233": {"text": "BaMgBr is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Br(1) atoms. All Ba(1)\u2013Mg(1) bond lengths are 3.49 \u00c5. All Ba(1)\u2013Br(1) bond lengths are 3.49 \u00c5. Mg(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Br(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##Mg", "##Br", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Mg", "(", "1", ")", "and", "four", "equivalent", "Br", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Mg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "49", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "3", ".", "49", "\u00c5", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Br", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66600": {"text": "BaInSn is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent In(1) and four equivalent Sn(1) atoms. All Ba(1)\u2013In(1) bond lengths are 3.42 \u00c5. All Ba(1)\u2013Sn(1) bond lengths are 3.42 \u00c5. In(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Sn(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##In", "##Sn", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "In", "(", "1", ")", "and", "four", "equivalent", "Sn", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "3", ".", "42", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Sn", "(", "1", ")", "bond", "lengths", "are", "3", ".", "42", "\u00c5", ".", "In", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Sn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-62390": {"text": "BAsO4 crystallizes in the tetragonal I-4 space group. B(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All B(1)\u2013O(1) bond lengths are 1.48 \u00c5. As(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All As(1)\u2013O(1) bond lengths are 1.72 \u00c5. O(1) is bonded in a bent 120 degrees geometry to one B(1) and one As(1) atom.", "tokens": ["[CLS]", "BA", "##s", "##O4", "crystallizes", "in", "the", "tetragonal", "I", "-", "4", "space", "group", ".", "B", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "B", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "48", "\u00c5", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "As", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "72", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "bent", "120", "degrees", "geometry", "to", "one", "B", "(", "1", ")", "and", "one", "As", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 1, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-66564": {"text": "BaTcBi is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Tc(1) and four equivalent Bi(1) atoms. All Ba(1)\u2013Tc(1) bond lengths are 3.36 \u00c5. All Ba(1)\u2013Bi(1) bond lengths are 3.36 \u00c5. Tc(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Bi(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##Tc", "##Bi", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Tc", "(", "1", ")", "and", "four", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Tc", "(", "1", ")", "bond", "lengths", "are", "3", ".", "36", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "3", ".", "36", "\u00c5", ".", "Tc", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-69272": {"text": "Ba2MgSn is Heusler structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Sn(1) atoms. All Ba(1)\u2013Mg(1) bond lengths are 3.68 \u00c5. All Ba(1)\u2013Sn(1) bond lengths are 3.68 \u00c5. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms. Sn(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba2", "##Mg", "##Sn", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Mg", "(", "1", ")", "and", "four", "equivalent", "Sn", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Mg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "68", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Sn", "(", "1", ")", "bond", "lengths", "are", "3", ".", "68", "\u00c5", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Sn", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-65769": {"text": "Ba2SbBr is Heusler structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Sb(1) and four equivalent Br(1) atoms. All Ba(1)\u2013Sb(1) bond lengths are 3.62 \u00c5. All Ba(1)\u2013Br(1) bond lengths are 3.62 \u00c5. Sb(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms. Br(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba2", "##Sb", "##Br", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "and", "four", "equivalent", "Br", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "62", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "3", ".", "62", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Br", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-66608": {"text": "BaBeBi is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent Be(1) and four equivalent Bi(1) atoms. All Ba(1)\u2013Be(1) bond lengths are 3.36 \u00c5. All Ba(1)\u2013Bi(1) bond lengths are 3.36 \u00c5. Be(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms. Bi(1) is bonded in a tetrahedral geometry to four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##Be", "##Bi", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Be", "(", "1", ")", "and", "four", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Be", "(", "1", ")", "bond", "lengths", "are", "3", ".", "36", "\u00c5", ".", "All", "Ba", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "3", ".", "36", "\u00c5", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-85336": {"text": "EuMn2Sb2 crystallizes in the trigonal P-3m1 space group. Eu(1) is bonded in an octahedral geometry to six equivalent Sb(1) atoms. All Eu(1)\u2013Sb(1) bond lengths are 3.12 \u00c5. Mn(1) is bonded in a tetrahedral geometry to four equivalent Sb(1) atoms. There is one shorter (2.63 \u00c5) and three longer (2.66 \u00c5) Mn(1)\u2013Sb(1) bond lengths. Sb(1) is bonded in a distorted pentagonal bipyramidal geometry to three equivalent Eu(1) and four equivalent Mn(1) atoms.", "tokens": ["[CLS]", "Eu", "##Mn2", "##Sb", "##2", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Eu", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "Eu", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "12", "\u00c5", ".", "Mn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "There", "is", "one", "shorter", "(", "2", ".", "63", "\u00c5", ")", "and", "three", "longer", "(", "2", ".", "66", "\u00c5", ")", "Mn", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "bipyramidal", "geometry", "to", "three", "equivalent", "Eu", "(", "1", ")", "and", "four", "equivalent", "Mn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14965": {"text": "NiTe2 is Calaverite structured and crystallizes in the trigonal P-3m1 space group. Ni(1) is bonded in an octahedral geometry to six equivalent Te(1) atoms. All Ni(1)\u2013Te(1) bond lengths are 2.61 \u00c5. Te(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms.", "tokens": ["[CLS]", "Ni", "##Te2", "is", "Cal", "##aver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Ni", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Ni", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "2", ".", "61", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1882": {"text": "ErN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Er(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. All Er(1)\u2013N(1) bond lengths are 2.42 \u00c5. N(1) is bonded in an octahedral geometry to six equivalent Er(1) atoms.", "tokens": ["[CLS]", "Er", "##N", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Er", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "N", "(", "1", ")", "atoms", ".", "All", "Er", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "2", ".", "42", "\u00c5", ".", "N", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Er", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-87081": {"text": "Hf2Ni is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. Hf(1) is bonded in a 4-coordinate geometry to four equivalent Ni(1) atoms. All Hf(1)\u2013Ni(1) bond lengths are 2.72 \u00c5. Ni(1) is bonded in a 10-coordinate geometry to eight equivalent Hf(1) and two equivalent Ni(1) atoms. Both Ni(1)\u2013Ni(1) bond lengths are 2.60 \u00c5.", "tokens": ["[CLS]", "Hf", "##2N", "##i", "is", "Kh", "##at", "##yr", "##ki", "##te", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mc", "##m", "space", "group", ".", "Hf", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "All", "Hf", "(", "1", ")", "\u2013", "Ni", "(", "1", ")", "bond", "lengths", "are", "2", ".", "72", "\u00c5", ".", "Ni", "(", "1", ")", "is", "bonded", "in", "a", "10", "-", "coordinate", "geometry", "to", "eight", "equivalent", "Hf", "(", "1", ")", "and", "two", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "Both", "Ni", "(", "1", ")", "\u2013", "Ni", "(", "1", ")", "bond", "lengths", "are", "2", ".", "60", "\u00c5", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-18580": {"text": "Y3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Y(1) is bonded in a cuboctahedral geometry to eight equivalent Y(1) and four equivalent Al(1) atoms. All Y(1)\u2013Y(1) bond lengths are 3.37 \u00c5. All Y(1)\u2013Al(1) bond lengths are 3.37 \u00c5. Al(1) is bonded in a cuboctahedral geometry to twelve equivalent Y(1) atoms.", "tokens": ["[CLS]", "Y3", "##Al", "is", "Ur", "##anium", "Silic", "##ide", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Y", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "eight", "equivalent", "Y", "(", "1", ")", "and", "four", "equivalent", "Al", "(", "1", ")", "atoms", ".", "All", "Y", "(", "1", ")", "\u2013", "Y", "(", "1", ")", "bond", "lengths", "are", "3", ".", "37", "\u00c5", ".", "All", "Y", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "3", ".", "37", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Y", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-90798": {"text": "PbS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Pb(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Pb(1)\u2013S(1) bond lengths are 2.99 \u00c5. S(1) is bonded in an octahedral geometry to six equivalent Pb(1) atoms.", "tokens": ["[CLS]", "PbS", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Pb", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Pb", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "99", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Pb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-42263": {"text": "CrO crystallizes in the tetragonal P4_2/mmc space group. Cr(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cr(1)\u2013O(1) bond lengths are 1.98 \u00c5. O(1) is bonded in a tetrahedral geometry to four equivalent Cr(1) atoms.", "tokens": ["[CLS]", "Cr", "##O", "crystallizes", "in", "the", "tetragonal", "P4", "_", "2", "/", "mm", "##c", "space", "group", ".", "Cr", "(", "1", ")", "is", "bonded", "in", "a", "square", "co", "-", "planar", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Cr", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "98", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Cr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-3579": {"text": "PbFBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Pb(1) is bonded in a 4-coordinate geometry to four equivalent Br(1) and four equivalent F(1) atoms. All Pb(1)\u2013Br(1) bond lengths are 3.20 \u00c5. All Pb(1)\u2013F(1) bond lengths are 2.57 \u00c5. Br(1) is bonded in a 4-coordinate geometry to four equivalent Pb(1) atoms. F(1) is bonded in a tetrahedral geometry to four equivalent Pb(1) atoms.", "tokens": ["[CLS]", "Pb", "##FB", "##r", "is", "Mat", "##lock", "##ite", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "nm", "##m", "space", "group", ".", "Pb", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Br", "(", "1", ")", "and", "four", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Pb", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "3", ".", "20", "\u00c5", ".", "All", "Pb", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "57", "\u00c5", ".", "Br", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Pb", "(", "1", ")", "atoms", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Pb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-66836": {"text": "BePdCl crystallizes in the tetragonal I4mm space group. Be(1) is bonded in a body-centered cubic geometry to four equivalent Pd(1) and four equivalent Cl(1) atoms. All Be(1)\u2013Pd(1) bond lengths are 2.44 \u00c5. All Be(1)\u2013Cl(1) bond lengths are 2.55 \u00c5. Pd(1) is bonded in a 4-coordinate geometry to four equivalent Be(1) atoms. Cl(1) is bonded in a 4-coordinate geometry to four equivalent Be(1) atoms.", "tokens": ["[CLS]", "Be", "##Pd", "##Cl", "crystallizes", "in", "the", "tetragonal", "I4", "##mm", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Pd", "(", "1", ")", "and", "four", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "Pd", "(", "1", ")", "bond", "lengths", "are", "2", ".", "44", "\u00c5", ".", "All", "Be", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", "are", "2", ".", "55", "\u00c5", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Be", "(", "1", ")", "atoms", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Be", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-50348": {"text": "NaSmO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Na(1)\u2013O(1) bond lengths are 2.56 \u00c5. Sm(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sm(1)\u2013O(1) bond lengths are 2.36 \u00c5. O(1) is bonded in an octahedral geometry to three equivalent Na(1) and three equivalent Sm(1) atoms.", "tokens": ["[CLS]", "Na", "##Sm", "##O2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Na", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Na", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "56", "\u00c5", ".", "Sm", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Sm", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "36", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Na", "(", "1", ")", "and", "three", "equivalent", "Sm", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-1276": {"text": "SrS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Sr(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Sr(1)\u2013S(1) bond lengths are 3.01 \u00c5. S(1) is bonded in an octahedral geometry to six equivalent Sr(1) atoms.", "tokens": ["[CLS]", "Sr", "##S", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "3", ".", "01", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-14660": {"text": "HfFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. Hf(1) is bonded in a 12-coordinate geometry to twelve equivalent Fe(1) atoms. All Hf(1)\u2013Fe(1) bond lengths are 2.88 \u00c5. Fe(1) is bonded in a cuboctahedral geometry to six equivalent Hf(1) and six equivalent Fe(1) atoms. All Fe(1)\u2013Fe(1) bond lengths are 2.46 \u00c5.", "tokens": ["[CLS]", "Hf", "##Fe2", "is", "Cu", "##bi", "##c", "La", "##ves", "structured", "and", "crystallizes", "in", "the", "cubic", "Fd", "-", "3m", "space", "group", ".", "Hf", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "Fe", "(", "1", ")", "atoms", ".", "All", "Hf", "(", "1", ")", "\u2013", "Fe", "(", "1", ")", "bond", "lengths", "are", "2", ".", "88", "\u00c5", ".", "Fe", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "six", "equivalent", "Hf", "(", "1", ")", "and", "six", "equivalent", "Fe", "(", "1", ")", "atoms", ".", "All", "Fe", "(", "1", ")", "\u2013", "Fe", "(", "1", ")", "bond", "lengths", "are", "2", ".", "46", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-18466": {"text": "Ag3O crystallizes in the trigonal P-31m space group. Ag(1) is bonded in an L-shaped geometry to two equivalent O(1) atoms. Both Ag(1)\u2013O(1) bond lengths are 2.32 \u00c5. O(1) is bonded in an octahedral geometry to six equivalent Ag(1) atoms.", "tokens": ["[CLS]", "Ag3", "##O", "crystallizes", "in", "the", "trigonal", "P", "-", "31", "##m", "space", "group", ".", "Ag", "(", "1", ")", "is", "bonded", "in", "an", "L", "-", "shaped", "geometry", "to", "two", "equivalent", "O", "(", "1", ")", "atoms", ".", "Both", "Ag", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "32", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Ag", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-90803": {"text": "MgSiSb2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a tetrahedral geometry to four equivalent Sb(1) atoms. All Mg(1)\u2013Sb(1) bond lengths are 2.82 \u00c5. Si(1) is bonded in a tetrahedral geometry to four equivalent Sb(1) atoms. All Si(1)\u2013Sb(1) bond lengths are 2.62 \u00c5. Sb(1) is bonded in a tetrahedral geometry to two equivalent Mg(1) and two equivalent Si(1) atoms.", "tokens": ["[CLS]", "Mg", "##Si", "##Sb", "##2", "is", "Cha", "##lc", "##opyr", "##ite", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I", "-", "42", "##d", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "2", ".", "82", "\u00c5", ".", "Si", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "Si", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "2", ".", "62", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "two", "equivalent", "Mg", "(", "1", ")", "and", "two", "equivalent", "Si", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-67644": {"text": "Be2IrBi is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Be(1) is bonded in a body-centered cubic geometry to four equivalent Ir(1) and four equivalent Bi(1) atoms. All Be(1)\u2013Ir(1) bond lengths are 2.68 \u00c5. All Be(1)\u2013Bi(1) bond lengths are 2.68 \u00c5. Ir(1) is bonded in a body-centered cubic geometry to eight equivalent Be(1) atoms. Bi(1) is bonded in a body-centered cubic geometry to eight equivalent Be(1) atoms.", "tokens": ["[CLS]", "Be", "##2", "##Ir", "##Bi", "is", "Heusler", "-", "like", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Ir", "(", "1", ")", "and", "four", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "Ir", "(", "1", ")", "bond", "lengths", "are", "2", ".", "68", "\u00c5", ".", "All", "Be", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "2", ".", "68", "\u00c5", ".", "Ir", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Be", "(", "1", ")", "atoms", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Be", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-75595": {"text": "AuAsP is half-Heusler structured and crystallizes in the cubic F-43m space group. Au(1) is bonded in a body-centered cubic geometry to four equivalent As(1) and four equivalent P(1) atoms. All Au(1)\u2013As(1) bond lengths are 2.71 \u00c5. All Au(1)\u2013P(1) bond lengths are 2.71 \u00c5. As(1) is bonded in a tetrahedral geometry to four equivalent Au(1) atoms. P(1) is bonded in a tetrahedral geometry to four equivalent Au(1) atoms.", "tokens": ["[CLS]", "Au", "##As", "##P", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Au", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "As", "(", "1", ")", "and", "four", "equivalent", "P", "(", "1", ")", "atoms", ".", "All", "Au", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "2", ".", "71", "\u00c5", ".", "All", "Au", "(", "1", ")", "\u2013", "P", "(", "1", ")", "bond", "lengths", "are", "2", ".", "71", "\u00c5", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Au", "(", "1", ")", "atoms", ".", "P", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Au", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14796": {"text": "CeIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. Ce(1) is bonded in a 12-coordinate geometry to twelve equivalent Ir(1) atoms. All Ce(1)\u2013Ir(1) bond lengths are 3.16 \u00c5. Ir(1) is bonded in a cuboctahedral geometry to six equivalent Ce(1) and six equivalent Ir(1) atoms. All Ir(1)\u2013Ir(1) bond lengths are 2.70 \u00c5.", "tokens": ["[CLS]", "Ce", "##Ir", "##2", "is", "Cu", "##bi", "##c", "La", "##ves", "structured", "and", "crystallizes", "in", "the", "cubic", "Fd", "-", "3m", "space", "group", ".", "Ce", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "Ir", "(", "1", ")", "atoms", ".", "All", "Ce", "(", "1", ")", "\u2013", "Ir", "(", "1", ")", "bond", "lengths", "are", "3", ".", "16", "\u00c5", ".", "Ir", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "six", "equivalent", "Ce", "(", "1", ")", "and", "six", "equivalent", "Ir", "(", "1", ")", "atoms", ".", "All", "Ir", "(", "1", ")", "\u2013", "Ir", "(", "1", ")", "bond", "lengths", "are", "2", ".", "70", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-67811": {"text": "Be2ZrPd crystallizes in the tetragonal P4/mmm space group. Be(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Pd(1) atoms. All Be(1)\u2013Zr(1) bond lengths are 2.61 \u00c5. All Be(1)\u2013Pd(1) bond lengths are 2.61 \u00c5. Zr(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Be(1) atoms. Pd(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Be(1) atoms.", "tokens": ["[CLS]", "Be", "##2", "##Zr", "##Pd", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Zr", "(", "1", ")", "and", "four", "equivalent", "Pd", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "Zr", "(", "1", ")", "bond", "lengths", "are", "2", ".", "61", "\u00c5", ".", "All", "Be", "(", "1", ")", "\u2013", "Pd", "(", "1", ")", "bond", "lengths", "are", "2", ".", "61", "\u00c5", ".", "Zr", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Be", "(", "1", ")", "atoms", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Be", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-3198": {"text": "ErAgTe2 crystallizes in the tetragonal P-42_1m space group. Er(1) is bonded in a distorted octahedral geometry to six equivalent Te(1) atoms. There are a spread of Er(1)\u2013Te(1) bond distances ranging from 3.01\u20133.14 \u00c5. Ag(1) is bonded in a 4-coordinate geometry to four equivalent Te(1) atoms. All Ag(1)\u2013Te(1) bond lengths are 2.89 \u00c5. Te(1) is bonded in a 5-coordinate geometry to three equivalent Er(1) and two equivalent Ag(1) atoms.", "tokens": ["[CLS]", "Er", "##Ag", "##Te2", "crystallizes", "in", "the", "tetragonal", "P", "-", "42", "_", "1m", "space", "group", ".", "Er", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "six", "equivalent", "Te", "(", "1", ")", "atoms", ".", "There", "are", "a", "spread", "of", "Er", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "distances", "ranging", "from", "3", ".", "01", "\u2013", "3", ".", "14", "\u00c5", ".", "Ag", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Ag", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "2", ".", "89", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "a", "5", "-", "coordinate", "geometry", "to", "three", "equivalent", "Er", "(", "1", ")", "and", "two", "equivalent", "Ag", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-1339": {"text": "K2Te is Fluorite structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded in a tetrahedral geometry to four equivalent Te(1) atoms. All K(1)\u2013Te(1) bond lengths are 3.52 \u00c5. Te(1) is bonded in a body-centered cubic geometry to eight equivalent K(1) atoms.", "tokens": ["[CLS]", "K2", "##Te", "is", "Fluor", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "K", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "K", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "3", ".", "52", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "K", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-18551": {"text": "RbMnSe2 crystallizes in the tetragonal I-4m2 space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent Se(1) atoms. All Rb(1)\u2013Se(1) bond lengths are 3.52 \u00c5. Mn(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. All Mn(1)\u2013Se(1) bond lengths are 2.43 \u00c5. Se(1) is bonded in a distorted water-like geometry to four equivalent Rb(1) and two equivalent Mn(1) atoms.", "tokens": ["[CLS]", "Rb", "##Mn", "##Se2", "crystallizes", "in", "the", "tetragonal", "I", "-", "4", "##m2", "space", "group", ".", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Rb", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "3", ".", "52", "\u00c5", ".", "Mn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Mn", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "43", "\u00c5", ".", "Se", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "water", "-", "like", "geometry", "to", "four", "equivalent", "Rb", "(", "1", ")", "and", "two", "equivalent", "Mn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-85705": {"text": "Y2CH2 crystallizes in the trigonal P-3m1 space group. Y(1) is bonded in a distorted pentagonal bipyramidal geometry to three equivalent C(1) and four equivalent H(1) atoms. All Y(1)\u2013C(1) bond lengths are 2.51 \u00c5. There is one shorter (2.31 \u00c5) and three longer (2.33 \u00c5) Y(1)\u2013H(1) bond lengths. C(1) is bonded in an octahedral geometry to six equivalent Y(1) atoms. H(1) is bonded in a tetrahedral geometry to four equivalent Y(1) atoms.", "tokens": ["[CLS]", "Y2", "##CH2", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Y", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "bipyramidal", "geometry", "to", "three", "equivalent", "C", "(", "1", ")", "and", "four", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Y", "(", "1", ")", "\u2013", "C", "(", "1", ")", "bond", "lengths", "are", "2", ".", "51", "\u00c5", ".", "There", "is", "one", "shorter", "(", "2", ".", "31", "\u00c5", ")", "and", "three", "longer", "(", "2", ".", "33", "\u00c5", ")", "Y", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", ".", "C", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Y", "(", "1", ")", "atoms", ".", "H", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Y", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-51442": {"text": "Fe2CoGa is Heusler structured and crystallizes in the cubic Fm-3m space group. Fe(1) is bonded in a body-centered cubic geometry to four equivalent Co(1) and four equivalent Ga(1) atoms. All Fe(1)\u2013Co(1) bond lengths are 2.48 \u00c5. All Fe(1)\u2013Ga(1) bond lengths are 2.48 \u00c5. Co(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Fe(1) atoms. Ga(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Fe(1) atoms.", "tokens": ["[CLS]", "Fe2", "##Co", "##Ga", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Fe", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Co", "(", "1", ")", "and", "four", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Fe", "(", "1", ")", "\u2013", "Co", "(", "1", ")", "bond", "lengths", "are", "2", ".", "48", "\u00c5", ".", "All", "Fe", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "2", ".", "48", "\u00c5", ".", "Co", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Fe", "(", "1", ")", "atoms", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Fe", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-75644": {"text": "RhAsBr is half-Heusler structured and crystallizes in the cubic F-43m space group. Rh(1) is bonded in a tetrahedral geometry to four equivalent Br(1) atoms. All Rh(1)\u2013Br(1) bond lengths are 2.75 \u00c5. As(1) is bonded in a tetrahedral geometry to four equivalent Br(1) atoms. All As(1)\u2013Br(1) bond lengths are 2.75 \u00c5. Br(1) is bonded in a body-centered cubic geometry to four equivalent Rh(1) and four equivalent As(1) atoms.", "tokens": ["[CLS]", "Rh", "##As", "##Br", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Br", "(", "1", ")", "atoms", ".", "All", "Rh", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "2", ".", "75", "\u00c5", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Br", "(", "1", ")", "atoms", ".", "All", "As", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "2", ".", "75", "\u00c5", ".", "Br", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Rh", "(", "1", ")", "and", "four", "equivalent", "As", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-70592": {"text": "Be2CdBr crystallizes in the tetragonal I4/mmm space group. Be(1) is bonded in a 4-coordinate geometry to four equivalent Cd(1) atoms. All Be(1)\u2013Cd(1) bond lengths are 3.02 \u00c5. Cd(1) is bonded in a distorted cuboctahedral geometry to eight equivalent Be(1) and four equivalent Br(1) atoms. All Cd(1)\u2013Br(1) bond lengths are 2.94 \u00c5. Br(1) is bonded in a square co-planar geometry to four equivalent Cd(1) atoms.", "tokens": ["[CLS]", "Be", "##2C", "##d", "##Br", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Cd", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "Cd", "(", "1", ")", "bond", "lengths", "are", "3", ".", "02", "\u00c5", ".", "Cd", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "cub", "##octa", "##hedral", "geometry", "to", "eight", "equivalent", "Be", "(", "1", ")", "and", "four", "equivalent", "Br", "(", "1", ")", "atoms", ".", "All", "Cd", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "2", ".", "94", "\u00c5", ".", "Br", "(", "1", ")", "is", "bonded", "in", "a", "square", "co", "-", "planar", "geometry", "to", "four", "equivalent", "Cd", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1345": {"text": "YbTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Yb(1) is bonded in an octahedral geometry to six equivalent Te(1) atoms. All Yb(1)\u2013Te(1) bond lengths are 3.15 \u00c5. Te(1) is bonded in an octahedral geometry to six equivalent Yb(1) atoms.", "tokens": ["[CLS]", "Yb", "##Te", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Yb", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Yb", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "3", ".", "15", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Yb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-21199": {"text": "Th is Copper structured and crystallizes in the cubic Fm-3m space group. Th(1) is bonded in a cuboctahedral geometry to twelve equivalent Th(1) atoms. All Th(1)\u2013Th(1) bond lengths are 3.60 \u00c5.", "tokens": ["[CLS]", "Th", "is", "Copper", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Th", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Th", "(", "1", ")", "atoms", ".", "All", "Th", "(", "1", ")", "\u2013", "Th", "(", "1", ")", "bond", "lengths", "are", "3", ".", "60", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-92258": {"text": "ErCl3 crystallizes in the hexagonal P6_3/mmc space group. Er(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent Cl(1) atoms. All Er(1)\u2013Cl(1) bond lengths are 2.64 \u00c5. Cl(1) is bonded in an L-shaped geometry to two equivalent Er(1) atoms.", "tokens": ["[CLS]", "Er", "##Cl3", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "Er", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "pyramidal", "geometry", "to", "six", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "All", "Er", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", "are", "2", ".", "64", "\u00c5", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "an", "L", "-", "shaped", "geometry", "to", "two", "equivalent", "Er", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-18702": {"text": "Fe3Pd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Fe(1) is bonded in a cuboctahedral geometry to eight equivalent Fe(1) and four equivalent Pd(1) atoms. All Fe(1)\u2013Fe(1) bond lengths are 2.54 \u00c5. All Fe(1)\u2013Pd(1) bond lengths are 2.54 \u00c5. Pd(1) is bonded in a cuboctahedral geometry to twelve equivalent Fe(1) atoms.", "tokens": ["[CLS]", "Fe3", "##Pd", "is", "Ur", "##anium", "Silic", "##ide", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Fe", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "eight", "equivalent", "Fe", "(", "1", ")", "and", "four", "equivalent", "Pd", "(", "1", ")", "atoms", ".", "All", "Fe", "(", "1", ")", "\u2013", "Fe", "(", "1", ")", "bond", "lengths", "are", "2", ".", "54", "\u00c5", ".", "All", "Fe", "(", "1", ")", "\u2013", "Pd", "(", "1", ")", "bond", "lengths", "are", "2", ".", "54", "\u00c5", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Fe", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-74252": {"text": "BeYSc is H-Phase-like structured and crystallizes in the trigonal P3m1 space group. Be(1) is bonded in a distorted octahedral geometry to three equivalent Y(1) and three equivalent Sc(1) atoms. All Be(1)\u2013Y(1) bond lengths are 2.83 \u00c5. All Be(1)\u2013Sc(1) bond lengths are 2.67 \u00c5. Y(1) is bonded in a 3-coordinate geometry to three equivalent Be(1) atoms. Sc(1) is bonded in a 3-coordinate geometry to three equivalent Be(1) atoms.", "tokens": ["[CLS]", "Be", "##YS", "##c", "is", "H", "-", "Phase", "-", "like", "structured", "and", "crystallizes", "in", "the", "trigonal", "P3", "##m1", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "three", "equivalent", "Y", "(", "1", ")", "and", "three", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "Y", "(", "1", ")", "bond", "lengths", "are", "2", ".", "83", "\u00c5", ".", "All", "Be", "(", "1", ")", "\u2013", "Sc", "(", "1", ")", "bond", "lengths", "are", "2", ".", "67", "\u00c5", ".", "Y", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "Be", "(", "1", ")", "atoms", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "Be", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1189": {"text": "InSb is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. In(1) is bonded in a tetrahedral geometry to four equivalent Sb(1) atoms. All In(1)\u2013Sb(1) bond lengths are 2.86 \u00c5. Sb(1) is bonded in a tetrahedral geometry to four equivalent In(1) atoms.", "tokens": ["[CLS]", "InSb", "is", "Zinc", "##blende", ",", "Sp", "##hal", "##erite", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "In", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "In", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "2", ".", "86", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "In", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-16096": {"text": "TlCu2S2 crystallizes in the tetragonal I4/mmm space group. In each CuS sheet, Cu(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. All Cu(1)\u2013S(1) bond lengths are 2.36 \u00c5. S(1) is bonded in a 4-coordinate geometry to four equivalent Cu(1) atoms.", "tokens": ["[CLS]", "Tl", "##Cu2", "##S2", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "In", "each", "CuS", "sheet", ",", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Cu", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "36", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Cu", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-69774": {"text": "BeTiHg is half-Heusler structured and crystallizes in the cubic F-43m space group. Be(1) is bonded in a distorted tetrahedral geometry to four equivalent Ti(1) atoms. All Be(1)\u2013Ti(1) bond lengths are 2.64 \u00c5. Ti(1) is bonded in a body-centered cubic geometry to four equivalent Be(1) and four equivalent Hg(1) atoms. All Ti(1)\u2013Hg(1) bond lengths are 2.64 \u00c5. Hg(1) is bonded in a tetrahedral geometry to four equivalent Ti(1) atoms.", "tokens": ["[CLS]", "Be", "##Ti", "##Hg", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "tetrahedral", "geometry", "to", "four", "equivalent", "Ti", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "Ti", "(", "1", ")", "bond", "lengths", "are", "2", ".", "64", "\u00c5", ".", "Ti", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Be", "(", "1", ")", "and", "four", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "All", "Ti", "(", "1", ")", "\u2013", "Hg", "(", "1", ")", "bond", "lengths", "are", "2", ".", "64", "\u00c5", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ti", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-71568": {"text": "BeHfCl is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. Be(1) is bonded in a 3-coordinate geometry to three equivalent Hf(1) atoms. All Be(1)\u2013Hf(1) bond lengths are 2.63 \u00c5. Hf(1) is bonded in a 6-coordinate geometry to three equivalent Be(1) and three equivalent Cl(1) atoms. All Hf(1)\u2013Cl(1) bond lengths are 2.59 \u00c5. Cl(1) is bonded in a 3-coordinate geometry to three equivalent Hf(1) atoms.", "tokens": ["[CLS]", "Be", "##Hf", "##Cl", "is", "Mol", "##yb", "##denite", "-", "derived", "structured", "and", "crystallizes", "in", "the", "trigonal", "P3", "##m1", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "Hf", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "Hf", "(", "1", ")", "bond", "lengths", "are", "2", ".", "63", "\u00c5", ".", "Hf", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "three", "equivalent", "Be", "(", "1", ")", "and", "three", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "All", "Hf", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", "are", "2", ".", "59", "\u00c5", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "Hf", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-3690": {"text": "KMgH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. K(1) is bonded in a cuboctahedral geometry to twelve equivalent H(1) atoms. All K(1)\u2013H(1) bond lengths are 2.83 \u00c5. Mg(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. All Mg(1)\u2013H(1) bond lengths are 2.00 \u00c5. H(1) is bonded in a distorted octahedral geometry to four equivalent K(1) and two equivalent Mg(1) atoms.", "tokens": ["[CLS]", "KM", "##g", "##H3", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "K", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "K", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "83", "\u00c5", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "00", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "four", "equivalent", "K", "(", "1", ")", "and", "two", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-85784": {"text": "(NH4)2TiF6 is hexagonal omega structure structured and crystallizes in the trigonal P-3m1 space group. In the TiF6 cluster, Ti(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Ti(1)\u2013F(1) bond lengths are 1.90 \u00c5. F(1) is bonded in a single-bond geometry to one Ti(1) atom.", "tokens": ["[CLS]", "(", "NH4", ")", "2T", "##i", "##F6", "is", "hexagonal", "omega", "structure", "structured", "and", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "In", "the", "Ti", "##F6", "cluster", ",", "Ti", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Ti", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "90", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "single", "-", "bond", "geometry", "to", "one", "Ti", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-3696": {"text": "LiBaH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. All Li(1)\u2013H(1) bond lengths are 2.00 \u00c5. Ba(1) is bonded in a cuboctahedral geometry to twelve equivalent H(1) atoms. All Ba(1)\u2013H(1) bond lengths are 2.83 \u00c5. H(1) is bonded in a distorted linear geometry to two equivalent Li(1) and four equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Li", "##Ba", "##H3", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "00", "\u00c5", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "83", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "linear", "geometry", "to", "two", "equivalent", "Li", "(", "1", ")", "and", "four", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-85552": {"text": "UO2F2 crystallizes in the monoclinic C2/m space group. U(1) is bonded in an octahedral geometry to four equivalent O(1) and two equivalent F(1) atoms. All U(1)\u2013O(1) bond lengths are 2.09 \u00c5. Both U(1)\u2013F(1) bond lengths are 2.06 \u00c5. O(1) is bonded in a water-like geometry to two equivalent U(1) atoms. F(1) is bonded in a single-bond geometry to one U(1) atom.", "tokens": ["[CLS]", "UO2", "##F2", "crystallizes", "in", "the", "monoclinic", "C2", "/", "m", "space", "group", ".", "U", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "and", "two", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "U", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "09", "\u00c5", ".", "Both", "U", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "06", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "water", "-", "like", "geometry", "to", "two", "equivalent", "U", "(", "1", ")", "atoms", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "single", "-", "bond", "geometry", "to", "one", "U", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-15314": {"text": "AlCSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sc(1) is bonded in a linear geometry to four equivalent Al(1) and two equivalent C(1) atoms. All Sc(1)\u2013Al(1) bond lengths are 3.18 \u00c5. Both Sc(1)\u2013C(1) bond lengths are 2.25 \u00c5. Al(1) is bonded in a cuboctahedral geometry to twelve equivalent Sc(1) atoms. C(1) is bonded in an octahedral geometry to six equivalent Sc(1) atoms.", "tokens": ["[CLS]", "Al", "##CS", "##c3", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "four", "equivalent", "Al", "(", "1", ")", "and", "two", "equivalent", "C", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "3", ".", "18", "\u00c5", ".", "Both", "Sc", "(", "1", ")", "\u2013", "C", "(", "1", ")", "bond", "lengths", "are", "2", ".", "25", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "C", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-74583": {"text": "BeNaCl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. In the NaCl2 framework, Na(1) is bonded in a body-centered cubic geometry to eight equivalent Cl(1) atoms. All Na(1)\u2013Cl(1) bond lengths are 2.94 \u00c5. Cl(1) is bonded in a tetrahedral geometry to four equivalent Na(1) atoms.", "tokens": ["[CLS]", "Be", "##Na", "##Cl2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "In", "the", "NaCl", "##2", "framework", ",", "Na", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "All", "Na", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", "are", "2", ".", "94", "\u00c5", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Na", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-1981": {"text": "ZrCl2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. Zr(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent Cl(1,2) atoms. All Zr(1)\u2013Cl(1,2) bond lengths are 2.61 \u00c5. Cl(1,2) is bonded in a 3-coordinate geometry to three equivalent Zr(1) atoms.", "tokens": ["[CLS]", "Zr", "##Cl2", "is", "Mol", "##yb", "##denite", "-", "like", "structured", "and", "crystallizes", "in", "the", "trigonal", "R3", "##m", "space", "group", ".", "Zr", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "pyramidal", "geometry", "to", "six", "equivalent", "Cl", "(", "1", ",", "2", ")", "atoms", ".", "All", "Zr", "(", "1", ")", "\u2013", "Cl", "(", "1", ",", "2", ")", "bond", "lengths", "are", "2", ".", "61", "\u00c5", ".", "Cl", "(", "1", ",", "2", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "Zr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-108088": {"text": "Ni2H is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a 3-coordinate geometry to three equivalent H(1) atoms. All Ni(1)\u2013H(1) bond lengths are 1.83 \u00c5. H(1) is bonded in an octahedral geometry to six equivalent Ni(1) atoms.", "tokens": ["[CLS]", "Ni2", "##H", "is", "trigonal", "omega", "-", "like", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Ni", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Ni", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "1", ".", "83", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-74456": {"text": "Sr2BeW is Heusler structured and crystallizes in the cubic Fm-3m space group. Sr(1) is bonded in a body-centered cubic geometry to four equivalent Be(1) and four equivalent W(1) atoms. All Sr(1)\u2013Be(1) bond lengths are 3.26 \u00c5. All Sr(1)\u2013W(1) bond lengths are 3.26 \u00c5. Be(1) is bonded in a body-centered cubic geometry to eight equivalent Sr(1) atoms. W(1) is bonded in a body-centered cubic geometry to eight equivalent Sr(1) atoms.", "tokens": ["[CLS]", "Sr2", "##Be", "##W", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Be", "(", "1", ")", "and", "four", "equivalent", "W", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "Be", "(", "1", ")", "bond", "lengths", "are", "3", ".", "26", "\u00c5", ".", "All", "Sr", "(", "1", ")", "\u2013", "W", "(", "1", ")", "bond", "lengths", "are", "3", ".", "26", "\u00c5", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "W", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-249": {"text": "NiSe is lead oxide structured and crystallizes in the tetragonal P4/nmm space group. Ni(1) is bonded in a distorted tetrahedral geometry to four equivalent Se(1) atoms. All Ni(1)\u2013Se(1) bond lengths are 2.37 \u00c5. Se(1) is bonded in a 4-coordinate geometry to four equivalent Ni(1) atoms.", "tokens": ["[CLS]", "NiS", "##e", "is", "lead", "oxide", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "nm", "##m", "space", "group", ".", "Ni", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "tetrahedral", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Ni", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "37", "\u00c5", ".", "Se", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-18419": {"text": "W3O crystallizes in the cubic Pm-3n space group. W(1) is bonded in a 6-coordinate geometry to two equivalent W(1) and four equivalent O(1) atoms. Both W(1)\u2013W(1) bond lengths are 2.44 \u00c5. All W(1)\u2013O(1) bond lengths are 2.73 \u00c5. O(1) is bonded in a cuboctahedral geometry to twelve equivalent W(1) atoms.", "tokens": ["[CLS]", "W", "##3O", "crystallizes", "in", "the", "cubic", "Pm", "-", "3n", "space", "group", ".", "W", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "two", "equivalent", "W", "(", "1", ")", "and", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "Both", "W", "(", "1", ")", "\u2013", "W", "(", "1", ")", "bond", "lengths", "are", "2", ".", "44", "\u00c5", ".", "All", "W", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "73", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "W", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-74197": {"text": "BeCrBi2 crystallizes in the tetragonal P4/mmm space group. Be(1) is bonded in a body-centered cubic geometry to eight equivalent Bi(1) atoms. All Be(1)\u2013Bi(1) bond lengths are 3.07 \u00c5. Cr(1) is bonded in a body-centered cubic geometry to eight equivalent Bi(1) atoms. All Cr(1)\u2013Bi(1) bond lengths are 3.07 \u00c5. Bi(1) is bonded in a distorted body-centered cubic geometry to four equivalent Be(1) and four equivalent Cr(1) atoms.", "tokens": ["[CLS]", "Be", "##Cr", "##Bi", "##2", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "3", ".", "07", "\u00c5", ".", "Cr", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "All", "Cr", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "3", ".", "07", "\u00c5", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Be", "(", "1", ")", "and", "four", "equivalent", "Cr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-75016": {"text": "BeSbBr2 crystallizes in the tetragonal P4/mmm space group. In the SbBr2 framework, Sb(1) is bonded in a body-centered cubic geometry to eight equivalent Br(1) atoms. All Sb(1)\u2013Br(1) bond lengths are 3.20 \u00c5. Br(1) is bonded in a square co-planar geometry to four equivalent Sb(1) atoms.", "tokens": ["[CLS]", "Be", "##Sb", "##Br2", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "In", "the", "Sb", "##Br2", "framework", ",", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Br", "(", "1", ")", "atoms", ".", "All", "Sb", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "3", ".", "20", "\u00c5", ".", "Br", "(", "1", ")", "is", "bonded", "in", "a", "square", "co", "-", "planar", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-94793": {"text": "Na3PSe4 crystallizes in the cubic I-43m space group. Na(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. All Na(1)\u2013Se(1) bond lengths are 2.98 \u00c5. P(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. All P(1)\u2013Se(1) bond lengths are 2.25 \u00c5. Se(1) is bonded in a distorted trigonal pyramidal geometry to three equivalent Na(1) and one P(1) atom.", "tokens": ["[CLS]", "Na3", "##PS", "##e", "##4", "crystallizes", "in", "the", "cubic", "I", "-", "43", "##m", "space", "group", ".", "Na", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Na", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "98", "\u00c5", ".", "P", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "P", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "25", "\u00c5", ".", "Se", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "trigonal", "pyramidal", "geometry", "to", "three", "equivalent", "Na", "(", "1", ")", "and", "one", "P", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-107998": {"text": "Tm2CuGa is Heusler structured and crystallizes in the cubic Fm-3m space group. Tm(1) is bonded in a body-centered cubic geometry to four equivalent Cu(1) and four equivalent Ga(1) atoms. All Tm(1)\u2013Cu(1) bond lengths are 3.00 \u00c5. All Tm(1)\u2013Ga(1) bond lengths are 3.00 \u00c5. Cu(1) is bonded in a body-centered cubic geometry to eight equivalent Tm(1) atoms. Ga(1) is bonded in a body-centered cubic geometry to eight equivalent Tm(1) atoms.", "tokens": ["[CLS]", "Tm", "##2C", "##u", "##Ga", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Tm", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Cu", "(", "1", ")", "and", "four", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Tm", "(", "1", ")", "\u2013", "Cu", "(", "1", ")", "bond", "lengths", "are", "3", ".", "00", "\u00c5", ".", "All", "Tm", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "00", "\u00c5", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Tm", "(", "1", ")", "atoms", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Tm", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-74422": {"text": "BeHf2Tc is Heusler structured and crystallizes in the cubic Fm-3m space group. Be(1) is bonded in a body-centered cubic geometry to eight equivalent Hf(1) atoms. All Be(1)\u2013Hf(1) bond lengths are 2.79 \u00c5. Hf(1) is bonded in a body-centered cubic geometry to four equivalent Be(1) and four equivalent Tc(1) atoms. All Hf(1)\u2013Tc(1) bond lengths are 2.79 \u00c5. Tc(1) is bonded in a body-centered cubic geometry to eight equivalent Hf(1) atoms.", "tokens": ["[CLS]", "Be", "##Hf", "##2", "##Tc", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Hf", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "Hf", "(", "1", ")", "bond", "lengths", "are", "2", ".", "79", "\u00c5", ".", "Hf", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Be", "(", "1", ")", "and", "four", "equivalent", "Tc", "(", "1", ")", "atoms", ".", "All", "Hf", "(", "1", ")", "\u2013", "Tc", "(", "1", ")", "bond", "lengths", "are", "2", ".", "79", "\u00c5", ".", "Tc", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Hf", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-18411": {"text": "RhH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Rh(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. All Rh(1)\u2013H(1) bond lengths are 2.02 \u00c5. H(1) is bonded in an octahedral geometry to six equivalent Rh(1) atoms.", "tokens": ["[CLS]", "Rh", "##H", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Rh", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "02", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-2011": {"text": "HK1 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. All K(1)\u2013H(1) bond lengths are 2.81 \u00c5. H(1) is bonded in an octahedral geometry to six equivalent K(1) atoms.", "tokens": ["[CLS]", "HK", "##1", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "K", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "K", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "81", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "K", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-20071": {"text": "NpB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. Np(1) is bonded in a cuboctahedral geometry to twelve equivalent B(1) atoms. All Np(1)\u2013B(1) bond lengths are 2.70 \u00c5. B(1) is bonded in a 9-coordinate geometry to six equivalent Np(1) and three equivalent B(1) atoms. All B(1)\u2013B(1) bond lengths are 1.79 \u00c5.", "tokens": ["[CLS]", "Np", "##B2", "is", "hexagonal", "omega", "structure", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "/", "mm", "##m", "space", "group", ".", "Np", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "B", "(", "1", ")", "atoms", ".", "All", "Np", "(", "1", ")", "\u2013", "B", "(", "1", ")", "bond", "lengths", "are", "2", ".", "70", "\u00c5", ".", "B", "(", "1", ")", "is", "bonded", "in", "a", "9", "-", "coordinate", "geometry", "to", "six", "equivalent", "Np", "(", "1", ")", "and", "three", "equivalent", "B", "(", "1", ")", "atoms", ".", "All", "B", "(", "1", ")", "\u2013", "B", "(", "1", ")", "bond", "lengths", "are", "1", ".", "79", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14645": {"text": "YbPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Yb(1) is bonded in a cuboctahedral geometry to twelve equivalent Pt(1) atoms. All Yb(1)\u2013Pt(1) bond lengths are 2.87 \u00c5. Pt(1) is bonded in a distorted square co-planar geometry to four equivalent Yb(1) atoms.", "tokens": ["[CLS]", "Yb", "##Pt", "##3", "is", "Ur", "##anium", "Silic", "##ide", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Yb", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Pt", "(", "1", ")", "atoms", ".", "All", "Yb", "(", "1", ")", "\u2013", "Pt", "(", "1", ")", "bond", "lengths", "are", "2", ".", "87", "\u00c5", ".", "Pt", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "square", "co", "-", "planar", "geometry", "to", "four", "equivalent", "Yb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-105933": {"text": "LiMgSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a tetrahedral geometry to four equivalent Sb(1) atoms. All Li(1)\u2013Sb(1) bond lengths are 2.88 \u00c5. Mg(1) is bonded in a distorted tetrahedral geometry to four equivalent Sb(1) atoms. All Mg(1)\u2013Sb(1) bond lengths are 2.88 \u00c5. Sb(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Mg(1) atoms.", "tokens": ["[CLS]", "Li", "##Mg", "##Sb", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "2", ".", "88", "\u00c5", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "tetrahedral", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "2", ".", "88", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Li", "(", "1", ")", "and", "four", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-14811": {"text": "Sm is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. Sm(1) is bonded in a cuboctahedral geometry to twelve equivalent Sm(1) atoms. There are six shorter (3.57 \u00c5) and six longer (3.61 \u00c5) Sm(1)\u2013Sm(1) bond lengths.", "tokens": ["[CLS]", "Sm", "is", "Magne", "##si", "##um", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "Sm", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Sm", "(", "1", ")", "atoms", ".", "There", "are", "six", "shorter", "(", "3", ".", "57", "\u00c5", ")", "and", "six", "longer", "(", "3", ".", "61", "\u00c5", ")", "Sm", "(", "1", ")", "\u2013", "Sm", "(", "1", ")", "bond", "lengths", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14668": {"text": "TmPd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. Tm(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms. All Tm(1)\u2013Pd(1) bond lengths are 2.98 \u00c5. Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Tm(1) atoms.", "tokens": ["[CLS]", "Tm", "##Pd", "is", "Tetra", "##au", "##ric", "##up", "##rid", "##e", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Tm", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Pd", "(", "1", ")", "atoms", ".", "All", "Tm", "(", "1", ")", "\u2013", "Pd", "(", "1", ")", "bond", "lengths", "are", "2", ".", "98", "\u00c5", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Tm", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-3729": {"text": "SrHI is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent I(1) atoms. All Sr(1)\u2013H(1) bond lengths are 2.52 \u00c5. All Sr(1)\u2013I(1) bond lengths are 3.39 \u00c5. H(1) is bonded in a tetrahedral geometry to four equivalent Sr(1) atoms. I(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1) atoms.", "tokens": ["[CLS]", "Sr", "##HI", "is", "Mat", "##lock", "##ite", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "nm", "##m", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "a", "8", "-", "coordinate", "geometry", "to", "four", "equivalent", "H", "(", "1", ")", "and", "four", "equivalent", "I", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "52", "\u00c5", ".", "All", "Sr", "(", "1", ")", "\u2013", "I", "(", "1", ")", "bond", "lengths", "are", "3", ".", "39", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "I", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-3732": {"text": "Sr2RuH6 crystallizes in the cubic Fm-3m space group. Sr(1) is bonded in a cuboctahedral geometry to twelve equivalent H(1) atoms. All Sr(1)\u2013H(1) bond lengths are 2.69 \u00c5. Ru(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. All Ru(1)\u2013H(1) bond lengths are 1.74 \u00c5. H(1) is bonded in a square pyramidal geometry to four equivalent Sr(1) and one Ru(1) atom.", "tokens": ["[CLS]", "Sr2", "##Ru", "##H6", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "69", "\u00c5", ".", "Ru", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Ru", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "1", ".", "74", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "a", "square", "pyramidal", "geometry", "to", "four", "equivalent", "Sr", "(", "1", ")", "and", "one", "Ru", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-19931": {"text": "HoAu2 crystallizes in the tetragonal I4/mmm space group. Ho(1) is bonded in a distorted q6 geometry to ten equivalent Au(1) atoms. There are eight shorter (3.02 \u00c5) and two longer (3.03 \u00c5) Ho(1)\u2013Au(1) bond lengths. Au(1) is bonded in a 5-coordinate geometry to five equivalent Ho(1) atoms.", "tokens": ["[CLS]", "Ho", "##Au", "##2", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "Ho", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "q", "##6", "geometry", "to", "ten", "equivalent", "Au", "(", "1", ")", "atoms", ".", "There", "are", "eight", "shorter", "(", "3", ".", "02", "\u00c5", ")", "and", "two", "longer", "(", "3", ".", "03", "\u00c5", ")", "Ho", "(", "1", ")", "\u2013", "Au", "(", "1", ")", "bond", "lengths", ".", "Au", "(", "1", ")", "is", "bonded", "in", "a", "5", "-", "coordinate", "geometry", "to", "five", "equivalent", "Ho", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-108032": {"text": "Rb(RhAs)2 crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent As(1) atoms. All Rb(1)\u2013As(1) bond lengths are 3.54 \u00c5. Rh(1) is bonded in a tetrahedral geometry to four equivalent As(1) atoms. All Rh(1)\u2013As(1) bond lengths are 2.45 \u00c5. As(1) is bonded in a 8-coordinate geometry to four equivalent Rb(1) and four equivalent Rh(1) atoms.", "tokens": ["[CLS]", "Rb", "(", "Rh", "##As", ")", "2", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Rb", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "3", ".", "54", "\u00c5", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Rh", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "2", ".", "45", "\u00c5", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "8", "-", "coordinate", "geometry", "to", "four", "equivalent", "Rb", "(", "1", ")", "and", "four", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1804": {"text": "KPrS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All K(1)\u2013S(1) bond lengths are 3.21 \u00c5. Pr(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Pr(1)\u2013S(1) bond lengths are 2.89 \u00c5. S(1) is bonded in an octahedral geometry to three equivalent K(1) and three equivalent Pr(1) atoms.", "tokens": ["[CLS]", "KP", "##r", "##S2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "K", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "K", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "3", ".", "21", "\u00c5", ".", "Pr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Pr", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "89", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "K", "(", "1", ")", "and", "three", "equivalent", "Pr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-17353": {"text": "CrAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cr(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Cr(1)\u2013O(1) bond lengths are 1.86 \u00c5. Al(1) is bonded in a distorted cuboctahedral geometry to twelve equivalent O(1) atoms. All Al(1)\u2013O(1) bond lengths are 2.63 \u00c5. O(1) is bonded in a linear geometry to two equivalent Cr(1) and four equivalent Al(1) atoms.", "tokens": ["[CLS]", "Cr", "##AlO3", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Cr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Cr", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "86", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Al", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "63", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "Cr", "(", "1", ")", "and", "four", "equivalent", "Al", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-108062": {"text": "Co2TiAl is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded in a body-centered cubic geometry to eight equivalent Co(1) atoms. All Ti(1)\u2013Co(1) bond lengths are 2.52 \u00c5. Co(1) is bonded in a body-centered cubic geometry to four equivalent Ti(1) and four equivalent Al(1) atoms. All Co(1)\u2013Al(1) bond lengths are 2.52 \u00c5. Al(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Co(1) atoms.", "tokens": ["[CLS]", "Co2", "##Ti", "##Al", "is", "Heusler", "-", "like", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Ti", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Co", "(", "1", ")", "atoms", ".", "All", "Ti", "(", "1", ")", "\u2013", "Co", "(", "1", ")", "bond", "lengths", "are", "2", ".", "52", "\u00c5", ".", "Co", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Ti", "(", "1", ")", "and", "four", "equivalent", "Al", "(", "1", ")", "atoms", ".", "All", "Co", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "2", ".", "52", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Co", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-108163": {"text": "CoNiAl2 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Co(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. All Co(1)\u2013Al(1) bond lengths are 2.47 \u00c5. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. All Ni(1)\u2013Al(1) bond lengths are 2.50 \u00c5. Al(1) is bonded in a body-centered cubic geometry to four equivalent Co(1) and four equivalent Ni(1) atoms.", "tokens": ["[CLS]", "Co", "##Ni", "##Al2", "is", "Heusler", "-", "like", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Co", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Al", "(", "1", ")", "atoms", ".", "All", "Co", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "2", ".", "47", "\u00c5", ".", "Ni", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Al", "(", "1", ")", "atoms", ".", "All", "Ni", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "2", ".", "50", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Co", "(", "1", ")", "and", "four", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-99383": {"text": "Mg2Ca is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded in a 16-coordinate geometry to four equivalent Ca(1) and twelve equivalent Mg(1) atoms. All Ca(1)\u2013Ca(1) bond lengths are 3.78 \u00c5. All Ca(1)\u2013Mg(1) bond lengths are 3.62 \u00c5. Mg(1) is bonded in a cuboctahedral geometry to six equivalent Ca(1) and six equivalent Mg(1) atoms. All Mg(1)\u2013Mg(1) bond lengths are 3.09 \u00c5.", "tokens": ["[CLS]", "Mg2", "##Ca", "is", "Cu", "##bi", "##c", "La", "##ves", "structured", "and", "crystallizes", "in", "the", "cubic", "Fd", "-", "3m", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "a", "16", "-", "coordinate", "geometry", "to", "four", "equivalent", "Ca", "(", "1", ")", "and", "twelve", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "All", "Ca", "(", "1", ")", "\u2013", "Ca", "(", "1", ")", "bond", "lengths", "are", "3", ".", "78", "\u00c5", ".", "All", "Ca", "(", "1", ")", "\u2013", "Mg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "62", "\u00c5", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "six", "equivalent", "Ca", "(", "1", ")", "and", "six", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Mg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "09", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1894": {"text": "NaInS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Na(1)\u2013S(1) bond lengths are 2.88 \u00c5. In(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All In(1)\u2013S(1) bond lengths are 2.67 \u00c5. S(1) is bonded in an octahedral geometry to three equivalent Na(1) and three equivalent In(1) atoms.", "tokens": ["[CLS]", "NaI", "##n", "##S2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Na", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Na", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "88", "\u00c5", ".", "In", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "In", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "67", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Na", "(", "1", ")", "and", "three", "equivalent", "In", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-4071": {"text": "CuGaI4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded in a tetrahedral geometry to four equivalent I(1) atoms. All Cu(1)\u2013I(1) bond lengths are 2.62 \u00c5. Ga(1) is bonded in a tetrahedral geometry to four equivalent I(1) atoms. All Ga(1)\u2013I(1) bond lengths are 2.61 \u00c5. I(1) is bonded in a water-like geometry to one Cu(1) and one Ga(1) atom.", "tokens": ["[CLS]", "Cu", "##Ga", "##I4", "crystallizes", "in", "the", "tetragonal", "I", "-", "4", "space", "group", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "I", "(", "1", ")", "atoms", ".", "All", "Cu", "(", "1", ")", "\u2013", "I", "(", "1", ")", "bond", "lengths", "are", "2", ".", "62", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "I", "(", "1", ")", "atoms", ".", "All", "Ga", "(", "1", ")", "\u2013", "I", "(", "1", ")", "bond", "lengths", "are", "2", ".", "61", "\u00c5", ".", "I", "(", "1", ")", "is", "bonded", "in", "a", "water", "-", "like", "geometry", "to", "one", "Cu", "(", "1", ")", "and", "one", "Ga", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-99532": {"text": "BaMg1 is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. All Ba(1)\u2013Mg(1) bond lengths are 3.76 \u00c5. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms.", "tokens": ["[CLS]", "Ba", "##Mg", "##1", "is", "Tetra", "##au", "##ric", "##up", "##rid", "##e", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "Mg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "76", "\u00c5", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ba", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-100055": {"text": "CrF6 is Copper structured and crystallizes in the trigonal R-3 space group. Cr(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Cr(1)\u2013F(1) bond lengths are 1.75 \u00c5. F(1) is bonded in a single-bond geometry to one Cr(1) atom.", "tokens": ["[CLS]", "Cr", "##F6", "is", "Copper", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3", "space", "group", ".", "Cr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Cr", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "75", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "single", "-", "bond", "geometry", "to", "one", "Cr", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1825": {"text": "LiHoS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Li(1)\u2013S(1) bond lengths are 2.71 \u00c5. Ho(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Ho(1)\u2013S(1) bond lengths are 2.72 \u00c5. S(1) is bonded in an octahedral geometry to three equivalent Li(1) and three equivalent Ho(1) atoms.", "tokens": ["[CLS]", "Li", "##H", "##oS", "##2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "71", "\u00c5", ".", "Ho", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Ho", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "72", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Li", "(", "1", ")", "and", "three", "equivalent", "Ho", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-99721": {"text": "(Na)2TlGaF6 crystallizes in the cubic Fm-3m space group. In the TlGaF6 framework, Tl(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Tl(1)\u2013F(1) bond lengths are 2.55 \u00c5. Ga(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Ga(1)\u2013F(1) bond lengths are 1.91 \u00c5. F(1) is bonded in a linear geometry to one Tl(1) and one Ga(1) atom.", "tokens": ["[CLS]", "(", "Na", ")", "2T", "##l", "##Ga", "##F6", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "In", "the", "Tl", "##Ga", "##F6", "framework", ",", "Tl", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Tl", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "55", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Ga", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "91", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "one", "Tl", "(", "1", ")", "and", "one", "Ga", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-16200": {"text": "SrRhF6 crystallizes in the trigonal R-3m space group. Sr(1) is bonded in a cuboctahedral geometry to twelve equivalent F(1) atoms. There are six shorter (2.67 \u00c5) and six longer (2.77 \u00c5) Sr(1)\u2013F(1) bond lengths. Rh(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Rh(1)\u2013F(1) bond lengths are 1.93 \u00c5. F(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one Rh(1) atom.", "tokens": ["[CLS]", "Sr", "##Rh", "##F6", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "F", "(", "1", ")", "atoms", ".", "There", "are", "six", "shorter", "(", "2", ".", "67", "\u00c5", ")", "and", "six", "longer", "(", "2", ".", "77", "\u00c5", ")", "Sr", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Rh", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "93", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "single", "-", "bond", "geometry", "to", "two", "equivalent", "Sr", "(", "1", ")", "and", "one", "Rh", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-15015": {"text": "TbGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. Tb(1) is bonded in a cuboctahedral geometry to twelve equivalent Ga(1) atoms. All Tb(1)\u2013Ga(1) bond lengths are 3.18 \u00c5. Ga(1) is bonded in a 9-coordinate geometry to six equivalent Tb(1) and three equivalent Ga(1) atoms. All Ga(1)\u2013Ga(1) bond lengths are 2.43 \u00c5.", "tokens": ["[CLS]", "Tb", "##Ga", "##2", "is", "hexagonal", "omega", "structure", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "/", "mm", "##m", "space", "group", ".", "Tb", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Tb", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "18", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "9", "-", "coordinate", "geometry", "to", "six", "equivalent", "Tb", "(", "1", ")", "and", "three", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Ga", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "2", ".", "43", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-287": {"text": "SnO2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. Sn(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Sn(1)\u2013O(1) bond lengths are 2.18 \u00c5. O(1) is bonded in a distorted T-shaped geometry to three equivalent Sn(1) atoms.", "tokens": ["[CLS]", "SnO2", "is", "Mol", "##yb", "##denite", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "Sn", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Sn", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "18", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "T", "-", "shaped", "geometry", "to", "three", "equivalent", "Sn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-18423": {"text": "LiCuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Li(1)\u2013O(1) bond lengths are 2.11 \u00c5. Cu(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Cu(1)\u2013O(1) bond lengths are 2.02 \u00c5. O(1) is bonded in an octahedral geometry to three equivalent Li(1) and three equivalent Cu(1) atoms.", "tokens": ["[CLS]", "Li", "##Cu", "##O2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "11", "\u00c5", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Cu", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "02", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Li", "(", "1", ")", "and", "three", "equivalent", "Cu", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-17357": {"text": "MgSbF6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Mg(1)\u2013F(1) bond lengths are 2.00 \u00c5. Sb(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Sb(1)\u2013F(1) bond lengths are 2.06 \u00c5. F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(1) atom.", "tokens": ["[CLS]", "Mg", "##Sb", "##F6", "crystallizes", "in", "the", "trigonal", "R", "-", "3", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "00", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Sb", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "06", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "bent", "150", "degrees", "geometry", "to", "one", "Mg", "(", "1", ")", "and", "one", "Sb", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-99736": {"text": "K2O is beta Vanadium nitride-like structured and crystallizes in the tetragonal I4_1/amd space group. K(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. There is one shorter (2.64 \u00c5) and two longer (2.66 \u00c5) K(1)\u2013O(1) bond lengths. O(1) is bonded in a distorted octahedral geometry to six equivalent K(1) atoms.", "tokens": ["[CLS]", "K2O", "is", "beta", "Van", "##adium", "nitride", "-", "like", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I4", "_", "1", "/", "am", "##d", "space", "group", ".", "K", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "T", "-", "shaped", "geometry", "to", "three", "equivalent", "O", "(", "1", ")", "atoms", ".", "There", "is", "one", "shorter", "(", "2", ".", "64", "\u00c5", ")", "and", "two", "longer", "(", "2", ".", "66", "\u00c5", ")", "K", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "six", "equivalent", "K", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-17897": {"text": "CaFeF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Ca(1)\u2013F(1) bond lengths are 2.29 \u00c5. Fe(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Fe(1)\u2013F(1) bond lengths are 1.81 \u00c5. F(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one Fe(1) atom.", "tokens": ["[CLS]", "Ca", "##Fe", "##F6", "is", "Upper", "Ba", "##inite", "-", "derived", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Ca", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "29", "\u00c5", ".", "Fe", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Fe", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "81", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "bent", "120", "degrees", "geometry", "to", "one", "Ca", "(", "1", ")", "and", "one", "Fe", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-101041": {"text": "Rh2ZnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. Rh(1) is bonded in a body-centered cubic geometry to four equivalent Zn(1) and four equivalent In(1) atoms. All Rh(1)\u2013Zn(1) bond lengths are 2.71 \u00c5. All Rh(1)\u2013In(1) bond lengths are 2.71 \u00c5. Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Rh(1) atoms. In(1) is bonded in a body-centered cubic geometry to eight equivalent Rh(1) atoms.", "tokens": ["[CLS]", "Rh", "##2", "##Zn", "##In", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Zn", "(", "1", ")", "and", "four", "equivalent", "In", "(", "1", ")", "atoms", ".", "All", "Rh", "(", "1", ")", "\u2013", "Zn", "(", "1", ")", "bond", "lengths", "are", "2", ".", "71", "\u00c5", ".", "All", "Rh", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "2", ".", "71", "\u00c5", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "In", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-15457": {"text": "YbMn2Sb2 crystallizes in the trigonal P-3m1 space group. Yb(1) is bonded in an octahedral geometry to six equivalent Sb(1) atoms. All Yb(1)\u2013Sb(1) bond lengths are 3.15 \u00c5. Mn(1) is bonded in a tetrahedral geometry to four equivalent Sb(1) atoms. All Mn(1)\u2013Sb(1) bond lengths are 2.68 \u00c5. Sb(1) is bonded in a distorted pentagonal bipyramidal geometry to three equivalent Yb(1) and four equivalent Mn(1) atoms.", "tokens": ["[CLS]", "Yb", "##Mn2", "##Sb", "##2", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Yb", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "Yb", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "15", "\u00c5", ".", "Mn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "Mn", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "2", ".", "68", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "bipyramidal", "geometry", "to", "three", "equivalent", "Yb", "(", "1", ")", "and", "four", "equivalent", "Mn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1942": {"text": "IK1 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded in an octahedral geometry to six equivalent I(1) atoms. All K(1)\u2013I(1) bond lengths are 3.51 \u00c5. I(1) is bonded in an octahedral geometry to six equivalent K(1) atoms.", "tokens": ["[CLS]", "IK", "##1", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "K", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "I", "(", "1", ")", "atoms", ".", "All", "K", "(", "1", ")", "\u2013", "I", "(", "1", ")", "bond", "lengths", "are", "3", ".", "51", "\u00c5", ".", "I", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "K", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-16206": {"text": "GeSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Ge(1) is bonded in an octahedral geometry to six equivalent Sb(1) atoms. All Ge(1)\u2013Sb(1) bond lengths are 2.92 \u00c5. Sb(1) is bonded in an octahedral geometry to six equivalent Ge(1) atoms.", "tokens": ["[CLS]", "Ge", "##Sb", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ge", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "Ge", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "2", ".", "92", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Ge", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-101479": {"text": "(Na)2KAlF6 crystallizes in the cubic Fm-3m space group. In the KAlF6 framework, K(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All K(1)\u2013F(1) bond lengths are 2.42 \u00c5. Al(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Al(1)\u2013F(1) bond lengths are 1.81 \u00c5. F(1) is bonded in a linear geometry to one K(1) and one Al(1) atom.", "tokens": ["[CLS]", "(", "Na", ")", "2K", "##Al", "##F6", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "In", "the", "KA", "##l", "##F6", "framework", ",", "K", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "K", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "42", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Al", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "81", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "one", "K", "(", "1", ")", "and", "one", "Al", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-101104": {"text": "Tb2AgIn is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Tb(1) is bonded in a body-centered cubic geometry to four equivalent Ag(1) and four equivalent In(1) atoms. All Tb(1)\u2013Ag(1) bond lengths are 3.14 \u00c5. All Tb(1)\u2013In(1) bond lengths are 3.26 \u00c5. Ag(1) is bonded in a body-centered cubic geometry to eight equivalent Tb(1) atoms. In(1) is bonded in a body-centered cubic geometry to eight equivalent Tb(1) atoms.", "tokens": ["[CLS]", "Tb", "##2A", "##g", "##In", "is", "Heusler", "-", "like", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Tb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Ag", "(", "1", ")", "and", "four", "equivalent", "In", "(", "1", ")", "atoms", ".", "All", "Tb", "(", "1", ")", "\u2013", "Ag", "(", "1", ")", "bond", "lengths", "are", "3", ".", "14", "\u00c5", ".", "All", "Tb", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "3", ".", "26", "\u00c5", ".", "Ag", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Tb", "(", "1", ")", "atoms", ".", "In", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Tb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-99746": {"text": "CoSI is trigonal omega-derived structured and crystallizes in the trigonal R3m space group. Co(1) is bonded in an octahedral geometry to three equivalent S(1) and three equivalent I(1) atoms. All Co(1)\u2013S(1) bond lengths are 2.29 \u00c5. All Co(1)\u2013I(1) bond lengths are 2.63 \u00c5. S(1) is bonded in a trigonal non-coplanar geometry to three equivalent Co(1) atoms. I(1) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms.", "tokens": ["[CLS]", "Co", "##SI", "is", "trigonal", "omega", "-", "derived", "structured", "and", "crystallizes", "in", "the", "trigonal", "R3", "##m", "space", "group", ".", "Co", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "S", "(", "1", ")", "and", "three", "equivalent", "I", "(", "1", ")", "atoms", ".", "All", "Co", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "29", "\u00c5", ".", "All", "Co", "(", "1", ")", "\u2013", "I", "(", "1", ")", "bond", "lengths", "are", "2", ".", "63", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "a", "trigonal", "non", "-", "coplanar", "geometry", "to", "three", "equivalent", "Co", "(", "1", ")", "atoms", ".", "I", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "T", "-", "shaped", "geometry", "to", "three", "equivalent", "Co", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-101001": {"text": "MgNi is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. All Mg(1)\u2013Ni(1) bond lengths are 2.61 \u00c5. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms.", "tokens": ["[CLS]", "Mg", "##Ni", "is", "Tetra", "##au", "##ric", "##up", "##rid", "##e", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Ni", "(", "1", ")", "bond", "lengths", "are", "2", ".", "61", "\u00c5", ".", "Ni", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-17900": {"text": "MgFeF6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Mg(1)\u2013F(1) bond lengths are 2.00 \u00c5. Fe(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Fe(1)\u2013F(1) bond lengths are 1.81 \u00c5. F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Fe(1) atom.", "tokens": ["[CLS]", "Mg", "##Fe", "##F6", "crystallizes", "in", "the", "trigonal", "R", "-", "3", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "00", "\u00c5", ".", "Fe", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Fe", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "81", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "bent", "150", "degrees", "geometry", "to", "one", "Mg", "(", "1", ")", "and", "one", "Fe", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-99643": {"text": "Zr3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Zr(1) is bonded in a distorted cuboctahedral geometry to eight equivalent Zr(1) and four equivalent Ga(1) atoms. All Zr(1)\u2013Zr(1) bond lengths are 3.07 \u00c5. All Zr(1)\u2013Ga(1) bond lengths are 3.07 \u00c5. Ga(1) is bonded in a cuboctahedral geometry to twelve equivalent Zr(1) atoms.", "tokens": ["[CLS]", "Zr", "##3", "##Ga", "is", "Ur", "##anium", "Silic", "##ide", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Zr", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "cub", "##octa", "##hedral", "geometry", "to", "eight", "equivalent", "Zr", "(", "1", ")", "and", "four", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Zr", "(", "1", ")", "\u2013", "Zr", "(", "1", ")", "bond", "lengths", "are", "3", ".", "07", "\u00c5", ".", "All", "Zr", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "07", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Zr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-99468": {"text": "Mg2RhNi is Heusler structured and crystallizes in the cubic Fm-3m space group. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Rh(1) and four equivalent Ni(1) atoms. All Mg(1)\u2013Rh(1) bond lengths are 2.66 \u00c5. All Mg(1)\u2013Ni(1) bond lengths are 2.66 \u00c5. Rh(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms.", "tokens": ["[CLS]", "Mg2", "##Rh", "##Ni", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Rh", "(", "1", ")", "and", "four", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Rh", "(", "1", ")", "bond", "lengths", "are", "2", ".", "66", "\u00c5", ".", "All", "Mg", "(", "1", ")", "\u2013", "Ni", "(", "1", ")", "bond", "lengths", "are", "2", ".", "66", "\u00c5", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "Ni", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-2763": {"text": "Ba(MgAs)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded in an octahedral geometry to six equivalent As(1) atoms. All Ba(1)\u2013As(1) bond lengths are 3.35 \u00c5. Mg(1) is bonded in a tetrahedral geometry to four equivalent As(1) atoms. All Mg(1)\u2013As(1) bond lengths are 2.72 \u00c5. As(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Mg(1) atoms.", "tokens": ["[CLS]", "Ba", "(", "Mg", "##As", ")", "2", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "3", ".", "35", "\u00c5", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "2", ".", "72", "\u00c5", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "7", "-", "coordinate", "geometry", "to", "three", "equivalent", "Ba", "(", "1", ")", "and", "four", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-100208": {"text": "MgSc is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Sc(1) atoms. All Mg(1)\u2013Sc(1) bond lengths are 3.10 \u00c5. Sc(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms.", "tokens": ["[CLS]", "Mg", "##Sc", "is", "Tetra", "##au", "##ric", "##up", "##rid", "##e", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Sc", "(", "1", ")", "bond", "lengths", "are", "3", ".", "10", "\u00c5", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-100445": {"text": "Sr2PdN2 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a square pyramidal geometry to five equivalent N(1) atoms. There is one shorter (2.61 \u00c5) and four longer (2.70 \u00c5) Sr(1)\u2013N(1) bond lengths. Pd(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Pd(1)\u2013N(1) bond lengths are 1.93 \u00c5. N(1) is bonded in an octahedral geometry to five equivalent Sr(1) and one Pd(1) atom.", "tokens": ["[CLS]", "Sr2", "##Pd", "##N2", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "a", "square", "pyramidal", "geometry", "to", "five", "equivalent", "N", "(", "1", ")", "atoms", ".", "There", "is", "one", "shorter", "(", "2", ".", "61", "\u00c5", ")", "and", "four", "longer", "(", "2", ".", "70", "\u00c5", ")", "Sr", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "N", "(", "1", ")", "atoms", ".", "Both", "Pd", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "1", ".", "93", "\u00c5", ".", "N", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "five", "equivalent", "Sr", "(", "1", ")", "and", "one", "Pd", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-100210": {"text": "MgSc2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Sc(1) atoms. All Mg(1)\u2013Sc(1) bond lengths are 3.04 \u00c5. Sc(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Hg(1) atoms. All Sc(1)\u2013Hg(1) bond lengths are 3.04 \u00c5. Hg(1) is bonded in a body-centered cubic geometry to eight equivalent Sc(1) atoms.", "tokens": ["[CLS]", "Mg", "##Sc", "##2", "##Hg", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Sc", "(", "1", ")", "bond", "lengths", "are", "3", ".", "04", "\u00c5", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Mg", "(", "1", ")", "and", "four", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "Hg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "04", "\u00c5", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-102435": {"text": "LiHoO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Li(1)\u2013O(1) bond lengths are 2.33 \u00c5. Ho(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Ho(1)\u2013O(1) bond lengths are 2.27 \u00c5. O(1) is bonded in an octahedral geometry to three equivalent Li(1) and three equivalent Ho(1) atoms.", "tokens": ["[CLS]", "Li", "##H", "##o", "##O2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "33", "\u00c5", ".", "Ho", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Ho", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "27", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Li", "(", "1", ")", "and", "three", "equivalent", "Ho", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-100959": {"text": "Ca2RhAg is Heusler structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded in a body-centered cubic geometry to four equivalent Rh(1) and four equivalent Ag(1) atoms. All Ca(1)\u2013Rh(1) bond lengths are 3.05 \u00c5. All Ca(1)\u2013Ag(1) bond lengths are 3.05 \u00c5. Rh(1) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms. Ag(1) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms.", "tokens": ["[CLS]", "Ca2", "##Rh", "##Ag", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Rh", "(", "1", ")", "and", "four", "equivalent", "Ag", "(", "1", ")", "atoms", ".", "All", "Ca", "(", "1", ")", "\u2013", "Rh", "(", "1", ")", "bond", "lengths", "are", "3", ".", "05", "\u00c5", ".", "All", "Ca", "(", "1", ")", "\u2013", "Ag", "(", "1", ")", "bond", "lengths", "are", "3", ".", "05", "\u00c5", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ca", "(", "1", ")", "atoms", ".", "Ag", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ca", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-16066": {"text": "Sc3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sc(1) is bonded in a linear geometry to four equivalent Ga(1) and two equivalent C(1) atoms. All Sc(1)\u2013Ga(1) bond lengths are 3.16 \u00c5. Both Sc(1)\u2013C(1) bond lengths are 2.23 \u00c5. Ga(1) is bonded in a cuboctahedral geometry to twelve equivalent Sc(1) atoms. C(1) is bonded in an octahedral geometry to six equivalent Sc(1) atoms.", "tokens": ["[CLS]", "Sc", "##3", "##Ga", "##C", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "four", "equivalent", "Ga", "(", "1", ")", "and", "two", "equivalent", "C", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "16", "\u00c5", ".", "Both", "Sc", "(", "1", ")", "\u2013", "C", "(", "1", ")", "bond", "lengths", "are", "2", ".", "23", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "C", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14677": {"text": "Sc is Copper structured and crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a cuboctahedral geometry to twelve equivalent Sc(1) atoms. All Sc(1)\u2013Sc(1) bond lengths are 3.23 \u00c5.", "tokens": ["[CLS]", "Sc", "is", "Copper", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "Sc", "(", "1", ")", "bond", "lengths", "are", "3", ".", "23", "\u00c5", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-4861": {"text": "YbGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. Yb(1) is bonded in a cuboctahedral geometry to twelve equivalent Ga(1) atoms. All Yb(1)\u2013Ga(1) bond lengths are 3.13 \u00c5. Ga(1) is bonded in a 9-coordinate geometry to six equivalent Yb(1) and three equivalent Ga(1) atoms. All Ga(1)\u2013Ga(1) bond lengths are 2.54 \u00c5.", "tokens": ["[CLS]", "Yb", "##Ga", "##2", "is", "hexagonal", "omega", "structure", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "/", "mm", "##m", "space", "group", ".", "Yb", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Yb", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "13", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "9", "-", "coordinate", "geometry", "to", "six", "equivalent", "Yb", "(", "1", ")", "and", "three", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Ga", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "2", ".", "54", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-102131": {"text": "Ti2RuIr is Heusler structured and crystallizes in the cubic Fm-3m space group. Ti(1) is bonded in a body-centered cubic geometry to four equivalent Ru(1) and four equivalent Ir(1) atoms. All Ti(1)\u2013Ru(1) bond lengths are 2.68 \u00c5. All Ti(1)\u2013Ir(1) bond lengths are 2.68 \u00c5. Ru(1) is bonded in a body-centered cubic geometry to eight equivalent Ti(1) atoms. Ir(1) is bonded in a body-centered cubic geometry to eight equivalent Ti(1) atoms.", "tokens": ["[CLS]", "Ti2", "##Ru", "##Ir", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ti", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Ru", "(", "1", ")", "and", "four", "equivalent", "Ir", "(", "1", ")", "atoms", ".", "All", "Ti", "(", "1", ")", "\u2013", "Ru", "(", "1", ")", "bond", "lengths", "are", "2", ".", "68", "\u00c5", ".", "All", "Ti", "(", "1", ")", "\u2013", "Ir", "(", "1", ")", "bond", "lengths", "are", "2", ".", "68", "\u00c5", ".", "Ru", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ti", "(", "1", ")", "atoms", ".", "Ir", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ti", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-100966": {"text": "Pd2CuGa is Heusler structured and crystallizes in the cubic Fm-3m space group. Pd(1) is bonded in a body-centered cubic geometry to four equivalent Cu(1) and four equivalent Ga(1) atoms. All Pd(1)\u2013Cu(1) bond lengths are 2.63 \u00c5. All Pd(1)\u2013Ga(1) bond lengths are 2.63 \u00c5. Cu(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms. Ga(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms.", "tokens": ["[CLS]", "Pd2", "##Cu", "##Ga", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Cu", "(", "1", ")", "and", "four", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Pd", "(", "1", ")", "\u2013", "Cu", "(", "1", ")", "bond", "lengths", "are", "2", ".", "63", "\u00c5", ".", "All", "Pd", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "2", ".", "63", "\u00c5", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Pd", "(", "1", ")", "atoms", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Pd", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-102747": {"text": "HfZrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. All Hf(1)\u2013N(1) bond lengths are 2.25 \u00c5. Zr(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. All Zr(1)\u2013N(1) bond lengths are 2.32 \u00c5. N(1) is bonded in an octahedral geometry to three equivalent Hf(1) and three equivalent Zr(1) atoms.", "tokens": ["[CLS]", "Hf", "##Zr", "##N2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Hf", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "N", "(", "1", ")", "atoms", ".", "All", "Hf", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "2", ".", "25", "\u00c5", ".", "Zr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "N", "(", "1", ")", "atoms", ".", "All", "Zr", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "2", ".", "32", "\u00c5", ".", "N", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Hf", "(", "1", ")", "and", "three", "equivalent", "Zr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-19836": {"text": "TmB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. Tm(1) is bonded in a cuboctahedral geometry to twelve equivalent B(1) atoms. All Tm(1)\u2013B(1) bond lengths are 2.66 \u00c5. B(1) is bonded in a 9-coordinate geometry to six equivalent Tm(1) and three equivalent B(1) atoms. All B(1)\u2013B(1) bond lengths are 1.88 \u00c5.", "tokens": ["[CLS]", "Tm", "##B2", "is", "hexagonal", "omega", "structure", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "/", "mm", "##m", "space", "group", ".", "Tm", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "B", "(", "1", ")", "atoms", ".", "All", "Tm", "(", "1", ")", "\u2013", "B", "(", "1", ")", "bond", "lengths", "are", "2", ".", "66", "\u00c5", ".", "B", "(", "1", ")", "is", "bonded", "in", "a", "9", "-", "coordinate", "geometry", "to", "six", "equivalent", "Tm", "(", "1", ")", "and", "three", "equivalent", "B", "(", "1", ")", "atoms", ".", "All", "B", "(", "1", ")", "\u2013", "B", "(", "1", ")", "bond", "lengths", "are", "1", ".", "88", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-49752": {"text": "SrO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. All Sr(1)\u2013O(1) bond lengths are 2.58 \u00c5. O(1) is bonded in an octahedral geometry to six equivalent Sr(1) atoms.", "tokens": ["[CLS]", "SrO", "is", "Mol", "##yb", "##denum", "Carb", "##ide", "MAX", "Phase", "-", "like", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "pyramidal", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "58", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-102447": {"text": "Ac2AuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. Ac(1) is bonded in a body-centered cubic geometry to four equivalent Au(1) and four equivalent Zn(1) atoms. All Ac(1)\u2013Au(1) bond lengths are 3.38 \u00c5. All Ac(1)\u2013Zn(1) bond lengths are 3.38 \u00c5. Au(1) is bonded in a body-centered cubic geometry to eight equivalent Ac(1) atoms. Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Ac(1) atoms.", "tokens": ["[CLS]", "Ac", "##2A", "##u", "##Zn", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ac", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Au", "(", "1", ")", "and", "four", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "All", "Ac", "(", "1", ")", "\u2013", "Au", "(", "1", ")", "bond", "lengths", "are", "3", ".", "38", "\u00c5", ".", "All", "Ac", "(", "1", ")", "\u2013", "Zn", "(", "1", ")", "bond", "lengths", "are", "3", ".", "38", "\u00c5", ".", "Au", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ac", "(", "1", ")", "atoms", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ac", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-102502": {"text": "HoScAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. Ho(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. All Ho(1)\u2013Al(1) bond lengths are 3.01 \u00c5. Sc(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. All Sc(1)\u2013Al(1) bond lengths are 3.01 \u00c5. Al(1) is bonded in a body-centered cubic geometry to four equivalent Ho(1) and four equivalent Sc(1) atoms.", "tokens": ["[CLS]", "Ho", "##Sc", "##Al2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ho", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Al", "(", "1", ")", "atoms", ".", "All", "Ho", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "3", ".", "01", "\u00c5", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Al", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "3", ".", "01", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Ho", "(", "1", ")", "and", "four", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-16067": {"text": "Sc3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sc(1) is bonded in a linear geometry to four equivalent In(1) and two equivalent C(1) atoms. All Sc(1)\u2013In(1) bond lengths are 3.21 \u00c5. Both Sc(1)\u2013C(1) bond lengths are 2.27 \u00c5. In(1) is bonded in a cuboctahedral geometry to twelve equivalent Sc(1) atoms. C(1) is bonded in an octahedral geometry to six equivalent Sc(1) atoms.", "tokens": ["[CLS]", "Sc", "##3", "##In", "##C", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "four", "equivalent", "In", "(", "1", ")", "and", "two", "equivalent", "C", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "3", ".", "21", "\u00c5", ".", "Both", "Sc", "(", "1", ")", "\u2013", "C", "(", "1", ")", "bond", "lengths", "are", "2", ".", "27", "\u00c5", ".", "In", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "C", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14603": {"text": "As is alpha As structured and crystallizes in the trigonal R-3m space group. As(1) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms. All As(1)\u2013As(1) bond lengths are 2.56 \u00c5.", "tokens": ["[CLS]", "As", "is", "alpha", "As", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "As", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "2", ".", "56", "\u00c5", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-3009": {"text": "CaZn2As2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded in an octahedral geometry to six equivalent As(1) atoms. All Ca(1)\u2013As(1) bond lengths are 3.01 \u00c5. Zn(1) is bonded in a tetrahedral geometry to four equivalent As(1) atoms. There are three shorter (2.54 \u00c5) and one longer (2.64 \u00c5) Zn(1)\u2013As(1) bond length. As(1) is bonded in a distorted pentagonal bipyramidal geometry to three equivalent Ca(1) and four equivalent Zn(1) atoms.", "tokens": ["[CLS]", "Ca", "##Zn", "##2A", "##s2", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Ca", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "3", ".", "01", "\u00c5", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "As", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "2", ".", "54", "\u00c5", ")", "and", "one", "longer", "(", "2", ".", "64", "\u00c5", ")", "Zn", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "length", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "bipyramidal", "geometry", "to", "three", "equivalent", "Ca", "(", "1", ")", "and", "four", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-106276": {"text": "YTb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Tb(1) is bonded in a cuboctahedral geometry to eight equivalent Tb(1) and four equivalent Y(1) atoms. All Tb(1)\u2013Tb(1) bond lengths are 3.53 \u00c5. All Tb(1)\u2013Y(1) bond lengths are 3.53 \u00c5. Y(1) is bonded in a cuboctahedral geometry to twelve equivalent Tb(1) atoms.", "tokens": ["[CLS]", "Y", "##Tb", "##3", "is", "Ur", "##anium", "Silic", "##ide", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Tb", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "eight", "equivalent", "Tb", "(", "1", ")", "and", "four", "equivalent", "Y", "(", "1", ")", "atoms", ".", "All", "Tb", "(", "1", ")", "\u2013", "Tb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "53", "\u00c5", ".", "All", "Tb", "(", "1", ")", "\u2013", "Y", "(", "1", ")", "bond", "lengths", "are", "3", ".", "53", "\u00c5", ".", "Y", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Tb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-101624": {"text": "YbBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Yb(1) is bonded in a cuboctahedral geometry to twelve equivalent Bi(1) atoms. All Yb(1)\u2013Bi(1) bond lengths are 3.51 \u00c5. Bi(1) is bonded in a distorted square co-planar geometry to four equivalent Yb(1) atoms.", "tokens": ["[CLS]", "Yb", "##Bi", "##3", "is", "Ur", "##anium", "Silic", "##ide", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Yb", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "All", "Yb", "(", "1", ")", "\u2013", "Bi", "(", "1", ")", "bond", "lengths", "are", "3", ".", "51", "\u00c5", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "square", "co", "-", "planar", "geometry", "to", "four", "equivalent", "Yb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-104620": {"text": "ErTbHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. Er(1) is bonded in a body-centered cubic geometry to eight equivalent Hg(1) atoms. All Er(1)\u2013Hg(1) bond lengths are 3.20 \u00c5. Tb(1) is bonded in a body-centered cubic geometry to eight equivalent Hg(1) atoms. All Tb(1)\u2013Hg(1) bond lengths are 3.20 \u00c5. Hg(1) is bonded in a body-centered cubic geometry to four equivalent Er(1) and four equivalent Tb(1) atoms.", "tokens": ["[CLS]", "Er", "##Tb", "##Hg", "##2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Er", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "All", "Er", "(", "1", ")", "\u2013", "Hg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "20", "\u00c5", ".", "Tb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "All", "Tb", "(", "1", ")", "\u2013", "Hg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "20", "\u00c5", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Er", "(", "1", ")", "and", "four", "equivalent", "Tb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-103016": {"text": "Rb2O2 is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 7-coordinate geometry to seven equivalent O(1) atoms. There are six shorter (2.90 \u00c5) and one longer (2.97 \u00c5) Rb(1)\u2013O(1) bond length. O(1) is bonded in a distorted pentagonal bipyramidal geometry to seven equivalent Rb(1) atoms.", "tokens": ["[CLS]", "Rb", "##2O", "##2", "is", "alpha", "-", "derived", "structured", "and", "crystallizes", "in", "the", "orthorhombic", "Cm", "##cm", "space", "group", ".", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "7", "-", "coordinate", "geometry", "to", "seven", "equivalent", "O", "(", "1", ")", "atoms", ".", "There", "are", "six", "shorter", "(", "2", ".", "90", "\u00c5", ")", "and", "one", "longer", "(", "2", ".", "97", "\u00c5", ")", "Rb", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "length", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "bipyramidal", "geometry", "to", "seven", "equivalent", "Rb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-18481": {"text": "PuOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Pu(1) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent Br(1) atoms. All Pu(1)\u2013O(1) bond lengths are 2.32 \u00c5. All Pu(1)\u2013Br(1) bond lengths are 3.20 \u00c5. O(1) is bonded in a tetrahedral geometry to four equivalent Pu(1) atoms. Br(1) is bonded in a 4-coordinate geometry to four equivalent Pu(1) atoms.", "tokens": ["[CLS]", "Pu", "##OB", "##r", "is", "Mat", "##lock", "##ite", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "nm", "##m", "space", "group", ".", "Pu", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "and", "four", "equivalent", "Br", "(", "1", ")", "atoms", ".", "All", "Pu", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "32", "\u00c5", ".", "All", "Pu", "(", "1", ")", "\u2013", "Br", "(", "1", ")", "bond", "lengths", "are", "3", ".", "20", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Pu", "(", "1", ")", "atoms", ".", "Br", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Pu", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1648": {"text": "KErTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded in a distorted octahedral geometry to six equivalent Te(1) atoms. All K(1)\u2013Te(1) bond lengths are 3.48 \u00c5. Er(1) is bonded in an octahedral geometry to six equivalent Te(1) atoms. All Er(1)\u2013Te(1) bond lengths are 3.08 \u00c5. Te(1) is bonded in an octahedral geometry to three equivalent K(1) and three equivalent Er(1) atoms.", "tokens": ["[CLS]", "KE", "##r", "##Te2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "K", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "six", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "K", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "3", ".", "48", "\u00c5", ".", "Er", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Er", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "3", ".", "08", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "K", "(", "1", ")", "and", "three", "equivalent", "Er", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-105110": {"text": "MgAc2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Ac(1) atoms. All Mg(1)\u2013Ac(1) bond lengths are 3.46 \u00c5. Ac(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Ga(1) atoms. All Ac(1)\u2013Ga(1) bond lengths are 3.46 \u00c5. Ga(1) is bonded in a body-centered cubic geometry to eight equivalent Ac(1) atoms.", "tokens": ["[CLS]", "Mg", "##Ac", "##2", "##Ga", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ac", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Ac", "(", "1", ")", "bond", "lengths", "are", "3", ".", "46", "\u00c5", ".", "Ac", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Mg", "(", "1", ")", "and", "four", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Ac", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "46", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ac", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14723": {"text": "TmAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. Tm(1) is bonded in a body-centered cubic geometry to eight equivalent Au(1) atoms. All Tm(1)\u2013Au(1) bond lengths are 3.06 \u00c5. Au(1) is bonded in a body-centered cubic geometry to eight equivalent Tm(1) atoms.", "tokens": ["[CLS]", "Tm", "##Au", "is", "Tetra", "##au", "##ric", "##up", "##rid", "##e", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Tm", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Au", "(", "1", ")", "atoms", ".", "All", "Tm", "(", "1", ")", "\u2013", "Au", "(", "1", ")", "bond", "lengths", "are", "3", ".", "06", "\u00c5", ".", "Au", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Tm", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-105192": {"text": "LiDy2Rh is Heusler structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a body-centered cubic geometry to eight equivalent Dy(1) atoms. All Li(1)\u2013Dy(1) bond lengths are 3.00 \u00c5. Dy(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Rh(1) atoms. All Dy(1)\u2013Rh(1) bond lengths are 3.00 \u00c5. Rh(1) is bonded in a body-centered cubic geometry to eight equivalent Dy(1) atoms.", "tokens": ["[CLS]", "Li", "##D", "##y2", "##Rh", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Dy", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "Dy", "(", "1", ")", "bond", "lengths", "are", "3", ".", "00", "\u00c5", ".", "Dy", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Li", "(", "1", ")", "and", "four", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "All", "Dy", "(", "1", ")", "\u2013", "Rh", "(", "1", ")", "bond", "lengths", "are", "3", ".", "00", "\u00c5", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Dy", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-19": {"text": "TiTe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent Te(1) atoms. All Ti(1)\u2013Te(1) bond lengths are 2.84 \u00c5. Te(1) is bonded in an octahedral geometry to six equivalent Ti(1) atoms.", "tokens": ["[CLS]", "Ti", "##Te", "is", "Tun", "##gst", "##en", "Carb", "##ide", "-", "like", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "Ti", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "pyramidal", "geometry", "to", "six", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Ti", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "2", ".", "84", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Ti", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-103094": {"text": "Ge2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ge(1) is bonded in an octahedral geometry to three equivalent Te(1) and three equivalent Se(1) atoms. All Ge(1)\u2013Te(1) bond lengths are 2.99 \u00c5. All Ge(1)\u2013Se(1) bond lengths are 2.87 \u00c5. Te(1) is bonded in an octahedral geometry to six equivalent Ge(1) atoms. Se(1) is bonded in an octahedral geometry to six equivalent Ge(1) atoms.", "tokens": ["[CLS]", "Ge", "##2", "##Te", "##Se", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Ge", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Te", "(", "1", ")", "and", "three", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Ge", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "2", ".", "99", "\u00c5", ".", "All", "Ge", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "87", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Ge", "(", "1", ")", "atoms", ".", "Se", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Ge", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-1783": {"text": "PrCuO2 crystallizes in the trigonal R-3m space group. Pr(1) is bonded in a distorted octahedral geometry to six equivalent O(1) atoms. All Pr(1)\u2013O(1) bond lengths are 2.43 \u00c5. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. Both Cu(1)\u2013O(1) bond lengths are 1.82 \u00c5. O(1) is bonded in a tetrahedral geometry to three equivalent Pr(1) and one Cu(1) atom.", "tokens": ["[CLS]", "Pr", "##Cu", "##O2", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Pr", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Pr", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "43", "\u00c5", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "O", "(", "1", ")", "atoms", ".", "Both", "Cu", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "82", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "three", "equivalent", "Pr", "(", "1", ")", "and", "one", "Cu", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-14993": {"text": "TbAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Tb(1) is bonded in an octahedral geometry to six equivalent As(1) atoms. All Tb(1)\u2013As(1) bond lengths are 2.92 \u00c5. As(1) is bonded in an octahedral geometry to six equivalent Tb(1) atoms.", "tokens": ["[CLS]", "Tb", "##As", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Tb", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Tb", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "2", ".", "92", "\u00c5", ".", "As", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Tb", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14729": {"text": "Ca is Copper structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded in a cuboctahedral geometry to twelve equivalent Ca(1) atoms. All Ca(1)\u2013Ca(1) bond lengths are 3.86 \u00c5.", "tokens": ["[CLS]", "Ca", "is", "Copper", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Ca", "(", "1", ")", "atoms", ".", "All", "Ca", "(", "1", ")", "\u2013", "Ca", "(", "1", ")", "bond", "lengths", "are", "3", ".", "86", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-102327": {"text": "RbBH4 crystallizes in the cubic F-43m space group. Rb(1) is bonded in a 12-coordinate geometry to twelve equivalent H(1) atoms. All Rb(1)\u2013H(1) bond lengths are 2.91 \u00c5. B(1) is bonded in a tetrahedral geometry to four equivalent H(1) atoms. All B(1)\u2013H(1) bond lengths are 1.23 \u00c5. H(1) is bonded in a single-bond geometry to three equivalent Rb(1) and one B(1) atom.", "tokens": ["[CLS]", "Rb", "##BH4", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Rb", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "91", "\u00c5", ".", "B", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "B", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "1", ".", "23", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "a", "single", "-", "bond", "geometry", "to", "three", "equivalent", "Rb", "(", "1", ")", "and", "one", "B", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-18459": {"text": "HfH2 is Fluorite-like structured and crystallizes in the tetragonal I4/mmm space group. Hf(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. All Hf(1)\u2013H(1) bond lengths are 2.05 \u00c5. H(1) is bonded in a tetrahedral geometry to four equivalent Hf(1) atoms.", "tokens": ["[CLS]", "Hf", "##H2", "is", "Fluor", "##ite", "-", "like", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "Hf", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Hf", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "05", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Hf", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-106841": {"text": "Ca2CdTl is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a body-centered cubic geometry to four equivalent Cd(1) and four equivalent Tl(1) atoms. All Ca(1)\u2013Cd(1) bond lengths are 3.30 \u00c5. All Ca(1)\u2013Tl(1) bond lengths are 3.33 \u00c5. Cd(1) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms. Tl(1) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms.", "tokens": ["[CLS]", "Ca2", "##Cd", "##T", "##l", "is", "Heusler", "-", "like", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Cd", "(", "1", ")", "and", "four", "equivalent", "Tl", "(", "1", ")", "atoms", ".", "All", "Ca", "(", "1", ")", "\u2013", "Cd", "(", "1", ")", "bond", "lengths", "are", "3", ".", "30", "\u00c5", ".", "All", "Ca", "(", "1", ")", "\u2013", "Tl", "(", "1", ")", "bond", "lengths", "are", "3", ".", "33", "\u00c5", ".", "Cd", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ca", "(", "1", ")", "atoms", ".", "Tl", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ca", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-16003": {"text": "Al2O is Fluorite structured and crystallizes in the cubic Fm-3m space group. Al(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All Al(1)\u2013O(1) bond lengths are 2.49 \u00c5. O(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms.", "tokens": ["[CLS]", "Al2", "##O", "is", "Fluor", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Al", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "49", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Al", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-2949": {"text": "Ba2ZnN2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a square pyramidal geometry to five equivalent N(1) atoms. There is one shorter (2.66 \u00c5) and four longer (2.96 \u00c5) Ba(1)\u2013N(1) bond lengths. Zn(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Zn(1)\u2013N(1) bond lengths are 1.84 \u00c5. N(1) is bonded in a distorted octahedral geometry to five equivalent Ba(1) and one Zn(1) atom.", "tokens": ["[CLS]", "Ba2", "##Zn", "##N2", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "square", "pyramidal", "geometry", "to", "five", "equivalent", "N", "(", "1", ")", "atoms", ".", "There", "is", "one", "shorter", "(", "2", ".", "66", "\u00c5", ")", "and", "four", "longer", "(", "2", ".", "96", "\u00c5", ")", "Ba", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "N", "(", "1", ")", "atoms", ".", "Both", "Zn", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "1", ".", "84", "\u00c5", ".", "N", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "five", "equivalent", "Ba", "(", "1", ")", "and", "one", "Zn", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-105212": {"text": "MgSc2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Sc(1) atoms. All Mg(1)\u2013Sc(1) bond lengths are 2.96 \u00c5. Sc(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Ga(1) atoms. All Sc(1)\u2013Ga(1) bond lengths are 2.96 \u00c5. Ga(1) is bonded in a body-centered cubic geometry to eight equivalent Sc(1) atoms.", "tokens": ["[CLS]", "Mg", "##Sc", "##2", "##Ga", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Sc", "(", "1", ")", "bond", "lengths", "are", "2", ".", "96", "\u00c5", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Mg", "(", "1", ")", "and", "four", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "2", ".", "96", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1195": {"text": "ZnO is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. Zn(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are three shorter (1.99 \u00c5) and one longer (2.00 \u00c5) Zn(1)\u2013O(1) bond length. O(1) is bonded in a tetrahedral geometry to four equivalent Zn(1) atoms.", "tokens": ["[CLS]", "ZnO", "is", "Wu", "##rt", "##zi", "##te", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3m", "##c", "space", "group", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "1", ".", "99", "\u00c5", ")", "and", "one", "longer", "(", "2", ".", "00", "\u00c5", ")", "Zn", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "length", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-2097": {"text": "GaF3 crystallizes in the trigonal R-3c space group. Ga(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Ga(1)\u2013F(1) bond lengths are 1.92 \u00c5. F(1) is bonded in a bent 150 degrees geometry to two equivalent Ga(1) atoms.", "tokens": ["[CLS]", "Ga", "##F3", "crystallizes", "in", "the", "trigonal", "R", "-", "3c", "space", "group", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Ga", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "92", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "bent", "150", "degrees", "geometry", "to", "two", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-107233": {"text": "Y2PtCu is Heusler structured and crystallizes in the cubic Fm-3m space group. Y(1) is bonded in a body-centered cubic geometry to four equivalent Pt(1) and four equivalent Cu(1) atoms. All Y(1)\u2013Pt(1) bond lengths are 3.01 \u00c5. All Y(1)\u2013Cu(1) bond lengths are 3.01 \u00c5. Pt(1) is bonded in a body-centered cubic geometry to eight equivalent Y(1) atoms. Cu(1) is bonded in a body-centered cubic geometry to eight equivalent Y(1) atoms.", "tokens": ["[CLS]", "Y2", "##Pt", "##Cu", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Y", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Pt", "(", "1", ")", "and", "four", "equivalent", "Cu", "(", "1", ")", "atoms", ".", "All", "Y", "(", "1", ")", "\u2013", "Pt", "(", "1", ")", "bond", "lengths", "are", "3", ".", "01", "\u00c5", ".", "All", "Y", "(", "1", ")", "\u2013", "Cu", "(", "1", ")", "bond", "lengths", "are", "3", ".", "01", "\u00c5", ".", "Pt", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Y", "(", "1", ")", "atoms", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Y", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-15805": {"text": "BaZn2P2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent P(1) atoms. All Ba(1)\u2013P(1) bond lengths are 3.40 \u00c5. Zn(1) is bonded in a tetrahedral geometry to four equivalent P(1) atoms. All Zn(1)\u2013P(1) bond lengths are 2.50 \u00c5. P(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Zn(1) atoms.", "tokens": ["[CLS]", "Ba", "##Zn", "##2P", "##2", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "P", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "P", "(", "1", ")", "bond", "lengths", "are", "3", ".", "40", "\u00c5", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "P", "(", "1", ")", "atoms", ".", "All", "Zn", "(", "1", ")", "\u2013", "P", "(", "1", ")", "bond", "lengths", "are", "2", ".", "50", "\u00c5", ".", "P", "(", "1", ")", "is", "bonded", "in", "a", "8", "-", "coordinate", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "and", "four", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-104965": {"text": "PdCu crystallizes in the trigonal R-3m space group. Pd(1) is bonded in a distorted cuboctahedral geometry to six equivalent Pd(1) and six equivalent Cu(1) atoms. All Pd(1)\u2013Pd(1) bond lengths are 2.73 \u00c5. All Pd(1)\u2013Cu(1) bond lengths are 2.65 \u00c5. Cu(1) is bonded in a distorted cuboctahedral geometry to six equivalent Pd(1) and six equivalent Cu(1) atoms. All Cu(1)\u2013Cu(1) bond lengths are 2.73 \u00c5.", "tokens": ["[CLS]", "Pd", "##Cu", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "cub", "##octa", "##hedral", "geometry", "to", "six", "equivalent", "Pd", "(", "1", ")", "and", "six", "equivalent", "Cu", "(", "1", ")", "atoms", ".", "All", "Pd", "(", "1", ")", "\u2013", "Pd", "(", "1", ")", "bond", "lengths", "are", "2", ".", "73", "\u00c5", ".", "All", "Pd", "(", "1", ")", "\u2013", "Cu", "(", "1", ")", "bond", "lengths", "are", "2", ".", "65", "\u00c5", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "cub", "##octa", "##hedral", "geometry", "to", "six", "equivalent", "Pd", "(", "1", ")", "and", "six", "equivalent", "Cu", "(", "1", ")", "atoms", ".", "All", "Cu", "(", "1", ")", "\u2013", "Cu", "(", "1", ")", "bond", "lengths", "are", "2", ".", "73", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-104552": {"text": "PdCuAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. All Pd(1)\u2013Al(1) bond lengths are 2.62 \u00c5. Cu(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Al(1) atoms. All Cu(1)\u2013Al(1) bond lengths are 2.62 \u00c5. Al(1) is bonded in a body-centered cubic geometry to four equivalent Pd(1) and four equivalent Cu(1) atoms.", "tokens": ["[CLS]", "Pd", "##Cu", "##Al2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Al", "(", "1", ")", "atoms", ".", "All", "Pd", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "2", ".", "62", "\u00c5", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Al", "(", "1", ")", "atoms", ".", "All", "Cu", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "2", ".", "62", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Pd", "(", "1", ")", "and", "four", "equivalent", "Cu", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-15035": {"text": "Rh2P is Fluorite structured and crystallizes in the cubic Fm-3m space group. Rh(1) is bonded in a distorted tetrahedral geometry to four equivalent P(1) atoms. All Rh(1)\u2013P(1) bond lengths are 2.41 \u00c5. P(1) is bonded in a body-centered cubic geometry to eight equivalent Rh(1) atoms.", "tokens": ["[CLS]", "Rh", "##2P", "is", "Fluor", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "tetrahedral", "geometry", "to", "four", "equivalent", "P", "(", "1", ")", "atoms", ".", "All", "Rh", "(", "1", ")", "\u2013", "P", "(", "1", ")", "bond", "lengths", "are", "2", ".", "41", "\u00c5", ".", "P", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-104588": {"text": "LiHfAu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a body-centered cubic geometry to eight equivalent Au(1) atoms. All Li(1)\u2013Au(1) bond lengths are 2.84 \u00c5. Hf(1) is bonded in a body-centered cubic geometry to eight equivalent Au(1) atoms. All Hf(1)\u2013Au(1) bond lengths are 2.84 \u00c5. Au(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Hf(1) atoms.", "tokens": ["[CLS]", "Li", "##Hf", "##Au", "##2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Au", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "Au", "(", "1", ")", "bond", "lengths", "are", "2", ".", "84", "\u00c5", ".", "Hf", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Au", "(", "1", ")", "atoms", ".", "All", "Hf", "(", "1", ")", "\u2013", "Au", "(", "1", ")", "bond", "lengths", "are", "2", ".", "84", "\u00c5", ".", "Au", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Li", "(", "1", ")", "and", "four", "equivalent", "Hf", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-107394": {"text": "AcMnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ac(1) is bonded in a cuboctahedral geometry to twelve equivalent O(1) atoms. All Ac(1)\u2013O(1) bond lengths are 2.80 \u00c5. Mn(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Mn(1)\u2013O(1) bond lengths are 1.98 \u00c5. O(1) is bonded in a distorted linear geometry to four equivalent Ac(1) and two equivalent Mn(1) atoms.", "tokens": ["[CLS]", "Ac", "##MnO3", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Ac", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Ac", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "80", "\u00c5", ".", "Mn", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Mn", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "98", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "linear", "geometry", "to", "four", "equivalent", "Ac", "(", "1", ")", "and", "two", "equivalent", "Mn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-18528": {"text": "(Tl)2WCl6 is Fluorite structured and crystallizes in the cubic Fm-3m space group.", "tokens": ["[CLS]", "(", "Tl", ")", "2", "##WC", "##l", "##6", "is", "Fluor", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0], "label": "metal"}, "JVASP-104589": {"text": "LiAcRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a body-centered cubic geometry to eight equivalent Rh(1) atoms. All Li(1)\u2013Rh(1) bond lengths are 2.91 \u00c5. Ac(1) is bonded in a body-centered cubic geometry to eight equivalent Rh(1) atoms. All Ac(1)\u2013Rh(1) bond lengths are 2.91 \u00c5. Rh(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Ac(1) atoms.", "tokens": ["[CLS]", "Li", "##Ac", "##Rh", "##2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "Rh", "(", "1", ")", "bond", "lengths", "are", "2", ".", "91", "\u00c5", ".", "Ac", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "All", "Ac", "(", "1", ")", "\u2013", "Rh", "(", "1", ")", "bond", "lengths", "are", "2", ".", "91", "\u00c5", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Li", "(", "1", ")", "and", "four", "equivalent", "Ac", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-22689": {"text": "Ba2RuH6 crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a cuboctahedral geometry to twelve equivalent H(1) atoms. All Ba(1)\u2013H(1) bond lengths are 2.86 \u00c5. Ru(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. All Ru(1)\u2013H(1) bond lengths are 1.75 \u00c5. H(1) is bonded in a square pyramidal geometry to four equivalent Ba(1) and one Ru(1) atom.", "tokens": ["[CLS]", "Ba2", "##Ru", "##H6", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Ba", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "86", "\u00c5", ".", "Ru", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Ru", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "1", ".", "75", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "a", "square", "pyramidal", "geometry", "to", "four", "equivalent", "Ba", "(", "1", ")", "and", "one", "Ru", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-22606": {"text": "MnSnF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. Mn(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Mn(1)\u2013F(1) bond lengths are 1.85 \u00c5. Sn(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Sn(1)\u2013F(1) bond lengths are 2.30 \u00c5. F(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Sn(1) atom.", "tokens": ["[CLS]", "MnS", "##n", "##F6", "is", "Upper", "Ba", "##inite", "-", "derived", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3", "space", "group", ".", "Mn", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Mn", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "85", "\u00c5", ".", "Sn", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Sn", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "30", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "bent", "120", "degrees", "geometry", "to", "one", "Mn", "(", "1", ")", "and", "one", "Sn", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-106964": {"text": "LiScIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a body-centered cubic geometry to eight equivalent In(1) atoms. All Li(1)\u2013In(1) bond lengths are 3.02 \u00c5. Sc(1) is bonded in a distorted body-centered cubic geometry to eight equivalent In(1) atoms. All Sc(1)\u2013In(1) bond lengths are 3.02 \u00c5. In(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Sc(1) atoms.", "tokens": ["[CLS]", "Li", "##Sc", "##In", "##2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "In", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "3", ".", "02", "\u00c5", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "In", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "3", ".", "02", "\u00c5", ".", "In", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Li", "(", "1", ")", "and", "four", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-107184": {"text": "KPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. K(1) is bonded in a cuboctahedral geometry to twelve equivalent Pb(1) atoms. All K(1)\u2013Pb(1) bond lengths are 3.57 \u00c5. Pb(1) is bonded in a square co-planar geometry to four equivalent K(1) atoms.", "tokens": ["[CLS]", "KP", "##b", "##3", "is", "Ur", "##anium", "Silic", "##ide", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "K", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Pb", "(", "1", ")", "atoms", ".", "All", "K", "(", "1", ")", "\u2013", "Pb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "57", "\u00c5", ".", "Pb", "(", "1", ")", "is", "bonded", "in", "a", "square", "co", "-", "planar", "geometry", "to", "four", "equivalent", "K", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-15586": {"text": "CaMn2As2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded in an octahedral geometry to six equivalent As(1) atoms. All Ca(1)\u2013As(1) bond lengths are 2.96 \u00c5. Mn(1) is bonded in a tetrahedral geometry to four equivalent As(1) atoms. There is one shorter (2.41 \u00c5) and three longer (2.43 \u00c5) Mn(1)\u2013As(1) bond lengths. As(1) is bonded in a distorted pentagonal bipyramidal geometry to three equivalent Ca(1) and four equivalent Mn(1) atoms.", "tokens": ["[CLS]", "CaM", "##n2", "##As2", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Ca", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "2", ".", "96", "\u00c5", ".", "Mn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "As", "(", "1", ")", "atoms", ".", "There", "is", "one", "shorter", "(", "2", ".", "41", "\u00c5", ")", "and", "three", "longer", "(", "2", ".", "43", "\u00c5", ")", "Mn", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "bipyramidal", "geometry", "to", "three", "equivalent", "Ca", "(", "1", ")", "and", "four", "equivalent", "Mn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14736": {"text": "SmGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. Sm(1) is bonded in a cuboctahedral geometry to twelve equivalent Ga(1) atoms. All Sm(1)\u2013Ga(1) bond lengths are 3.22 \u00c5. Ga(1) is bonded in a 9-coordinate geometry to six equivalent Sm(1) and three equivalent Ga(1) atoms. All Ga(1)\u2013Ga(1) bond lengths are 2.45 \u00c5.", "tokens": ["[CLS]", "Sm", "##Ga", "##2", "is", "hexagonal", "omega", "structure", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "/", "mm", "##m", "space", "group", ".", "Sm", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Sm", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "22", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "9", "-", "coordinate", "geometry", "to", "six", "equivalent", "Sm", "(", "1", ")", "and", "three", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "All", "Ga", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "2", ".", "45", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-2376": {"text": "ZnSiP2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Zn(1) is bonded in a tetrahedral geometry to four equivalent P(1) atoms. All Zn(1)\u2013P(1) bond lengths are 2.38 \u00c5. Si(1) is bonded in a tetrahedral geometry to four equivalent P(1) atoms. All Si(1)\u2013P(1) bond lengths are 2.28 \u00c5. P(1) is bonded in a tetrahedral geometry to two equivalent Zn(1) and two equivalent Si(1) atoms.", "tokens": ["[CLS]", "ZnS", "##i", "##P2", "is", "Cha", "##lc", "##opyr", "##ite", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I", "-", "42", "##d", "space", "group", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "P", "(", "1", ")", "atoms", ".", "All", "Zn", "(", "1", ")", "\u2013", "P", "(", "1", ")", "bond", "lengths", "are", "2", ".", "38", "\u00c5", ".", "Si", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "P", "(", "1", ")", "atoms", ".", "All", "Si", "(", "1", ")", "\u2013", "P", "(", "1", ")", "bond", "lengths", "are", "2", ".", "28", "\u00c5", ".", "P", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "two", "equivalent", "Zn", "(", "1", ")", "and", "two", "equivalent", "Si", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-107189": {"text": "LiThRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a body-centered cubic geometry to eight equivalent Rh(1) atoms. All Li(1)\u2013Rh(1) bond lengths are 2.87 \u00c5. Th(1) is bonded in a body-centered cubic geometry to eight equivalent Rh(1) atoms. All Th(1)\u2013Rh(1) bond lengths are 2.87 \u00c5. Rh(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Th(1) atoms.", "tokens": ["[CLS]", "Li", "##Th", "##Rh", "##2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "Rh", "(", "1", ")", "bond", "lengths", "are", "2", ".", "87", "\u00c5", ".", "Th", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "All", "Th", "(", "1", ")", "\u2013", "Rh", "(", "1", ")", "bond", "lengths", "are", "2", ".", "87", "\u00c5", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Li", "(", "1", ")", "and", "four", "equivalent", "Th", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-104862": {"text": "NaHg2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a body-centered cubic geometry to eight equivalent Hg(1) atoms. All Na(1)\u2013Hg(1) bond lengths are 3.26 \u00c5. Hg(1) is bonded in a body-centered cubic geometry to four equivalent Na(1) and four equivalent Tl(1) atoms. All Hg(1)\u2013Tl(1) bond lengths are 3.26 \u00c5. Tl(1) is bonded in a body-centered cubic geometry to eight equivalent Hg(1) atoms.", "tokens": ["[CLS]", "NaH", "##g2", "##T", "##l", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Na", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "All", "Na", "(", "1", ")", "\u2013", "Hg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "26", "\u00c5", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Na", "(", "1", ")", "and", "four", "equivalent", "Tl", "(", "1", ")", "atoms", ".", "All", "Hg", "(", "1", ")", "\u2013", "Tl", "(", "1", ")", "bond", "lengths", "are", "3", ".", "26", "\u00c5", ".", "Tl", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1666": {"text": "RbHoS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Rb(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. All Rb(1)\u2013S(1) bond lengths are 3.30 \u00c5. Ho(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Ho(1)\u2013S(1) bond lengths are 2.76 \u00c5. S(1) is bonded in an octahedral geometry to three equivalent Rb(1) and three equivalent Ho(1) atoms.", "tokens": ["[CLS]", "Rb", "##H", "##oS", "##2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Rb", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "3", ".", "30", "\u00c5", ".", "Ho", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Ho", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "76", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Rb", "(", "1", ")", "and", "three", "equivalent", "Ho", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-44480": {"text": "RbFeO2 crystallizes in the cubic Fd-3m space group. Rb(1) is bonded in a 12-coordinate geometry to twelve equivalent O(1) atoms. All Rb(1)\u2013O(1) bond lengths are 3.46 \u00c5. Fe(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All Fe(1)\u2013O(1) bond lengths are 1.81 \u00c5. O(1) is bonded in a linear geometry to six equivalent Rb(1) and two equivalent Fe(1) atoms.", "tokens": ["[CLS]", "Rb", "##Fe", "##O2", "crystallizes", "in", "the", "cubic", "Fd", "-", "3m", "space", "group", ".", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Rb", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "3", ".", "46", "\u00c5", ".", "Fe", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Fe", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "81", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "six", "equivalent", "Rb", "(", "1", ")", "and", "two", "equivalent", "Fe", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-2262": {"text": "CuScO2 crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sc(1)\u2013O(1) bond lengths are 2.13 \u00c5. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. Both Cu(1)\u2013O(1) bond lengths are 1.84 \u00c5. O(1) is bonded in a distorted tetrahedral geometry to three equivalent Sc(1) and one Cu(1) atom.", "tokens": ["[CLS]", "CuS", "##c", "##O2", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "13", "\u00c5", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "O", "(", "1", ")", "atoms", ".", "Both", "Cu", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "84", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "tetrahedral", "geometry", "to", "three", "equivalent", "Sc", "(", "1", ")", "and", "one", "Cu", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-105454": {"text": "LiBH4 is Iron carbide-derived structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a 12-coordinate geometry to twelve equivalent H(1) atoms. All Li(1)\u2013H(1) bond lengths are 2.37 \u00c5. B(1) is bonded in a tetrahedral geometry to four equivalent H(1) atoms. All B(1)\u2013H(1) bond lengths are 1.21 \u00c5. H(1) is bonded in a single-bond geometry to three equivalent Li(1) and one B(1) atom.", "tokens": ["[CLS]", "LiBH4", "is", "Iron", "carbide", "-", "derived", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "2", ".", "37", "\u00c5", ".", "B", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "H", "(", "1", ")", "atoms", ".", "All", "B", "(", "1", ")", "\u2013", "H", "(", "1", ")", "bond", "lengths", "are", "1", ".", "21", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "a", "single", "-", "bond", "geometry", "to", "three", "equivalent", "Li", "(", "1", ")", "and", "one", "B", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-19851": {"text": "CoTi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. Ti(1) is bonded in a body-centered cubic geometry to eight equivalent Co(1) atoms. All Ti(1)\u2013Co(1) bond lengths are 2.57 \u00c5. Co(1) is bonded in a body-centered cubic geometry to eight equivalent Ti(1) atoms.", "tokens": ["[CLS]", "Co", "##Ti", "is", "Tetra", "##au", "##ric", "##up", "##rid", "##e", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Ti", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Co", "(", "1", ")", "atoms", ".", "All", "Ti", "(", "1", ")", "\u2013", "Co", "(", "1", ")", "bond", "lengths", "are", "2", ".", "57", "\u00c5", ".", "Co", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ti", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-12942": {"text": "SrHgO2 crystallizes in the trigonal P3_221 space group. Sr(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sr(1)\u2013O(1) bond lengths are 2.53 \u00c5. Hg(1) is bonded in a linear geometry to two equivalent O(1) atoms. Both Hg(1)\u2013O(1) bond lengths are 1.99 \u00c5. O(1) is bonded in a distorted tetrahedral geometry to three equivalent Sr(1) and one Hg(1) atom.", "tokens": ["[CLS]", "Sr", "##Hg", "##O2", "crystallizes", "in", "the", "trigonal", "P3", "_", "221", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "53", "\u00c5", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "O", "(", "1", ")", "atoms", ".", "Both", "Hg", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "99", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "tetrahedral", "geometry", "to", "three", "equivalent", "Sr", "(", "1", ")", "and", "one", "Hg", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-106521": {"text": "Ga3As is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Ga(1) is bonded in a distorted cuboctahedral geometry to eight equivalent Ga(1) and four equivalent As(1) atoms. All Ga(1)\u2013Ga(1) bond lengths are 3.05 \u00c5. All Ga(1)\u2013As(1) bond lengths are 3.05 \u00c5. As(1) is bonded in a cuboctahedral geometry to twelve equivalent Ga(1) atoms.", "tokens": ["[CLS]", "Ga", "##3A", "##s", "is", "Ur", "##anium", "Silic", "##ide", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "cub", "##octa", "##hedral", "geometry", "to", "eight", "equivalent", "Ga", "(", "1", ")", "and", "four", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Ga", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "3", ".", "05", "\u00c5", ".", "All", "Ga", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "3", ".", "05", "\u00c5", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1450": {"text": "NdTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nd(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Nd(1)\u2013S(1) bond lengths are 2.86 \u00c5. Tl(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. All Tl(1)\u2013S(1) bond lengths are 3.25 \u00c5. S(1) is bonded in a 3-coordinate geometry to three equivalent Nd(1) and three equivalent Tl(1) atoms.", "tokens": ["[CLS]", "Nd", "##T", "##l", "##S2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Nd", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Nd", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "86", "\u00c5", ".", "Tl", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Tl", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "3", ".", "25", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "Nd", "(", "1", ")", "and", "three", "equivalent", "Tl", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-102587": {"text": "TmYAg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. Tm(1) is bonded in a body-centered cubic geometry to eight equivalent Ag(1) atoms. All Tm(1)\u2013Ag(1) bond lengths are 3.11 \u00c5. Y(1) is bonded in a body-centered cubic geometry to eight equivalent Ag(1) atoms. All Y(1)\u2013Ag(1) bond lengths are 3.11 \u00c5. Ag(1) is bonded in a body-centered cubic geometry to four equivalent Tm(1) and four equivalent Y(1) atoms.", "tokens": ["[CLS]", "Tm", "##Y", "##Ag", "##2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Tm", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ag", "(", "1", ")", "atoms", ".", "All", "Tm", "(", "1", ")", "\u2013", "Ag", "(", "1", ")", "bond", "lengths", "are", "3", ".", "11", "\u00c5", ".", "Y", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ag", "(", "1", ")", "atoms", ".", "All", "Y", "(", "1", ")", "\u2013", "Ag", "(", "1", ")", "bond", "lengths", "are", "3", ".", "11", "\u00c5", ".", "Ag", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Tm", "(", "1", ")", "and", "four", "equivalent", "Y", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1489": {"text": "CuNdO2 crystallizes in the trigonal R-3m space group. Nd(1) is bonded in a distorted octahedral geometry to six equivalent O(1) atoms. All Nd(1)\u2013O(1) bond lengths are 2.40 \u00c5. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. Both Cu(1)\u2013O(1) bond lengths are 1.82 \u00c5. O(1) is bonded in a tetrahedral geometry to three equivalent Nd(1) and one Cu(1) atom.", "tokens": ["[CLS]", "Cu", "##Nd", "##O2", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Nd", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Nd", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "40", "\u00c5", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "O", "(", "1", ")", "atoms", ".", "Both", "Cu", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "82", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "three", "equivalent", "Nd", "(", "1", ")", "and", "one", "Cu", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-107464": {"text": "MgNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. Mg(1) is bonded in a 12-coordinate geometry to twelve equivalent Ni(1) atoms. All Mg(1)\u2013Ni(1) bond lengths are 2.81 \u00c5. Ni(1) is bonded in a cuboctahedral geometry to six equivalent Mg(1) and six equivalent Ni(1) atoms. All Ni(1)\u2013Ni(1) bond lengths are 2.39 \u00c5.", "tokens": ["[CLS]", "Mg", "##Ni2", "is", "Cu", "##bi", "##c", "La", "##ves", "structured", "and", "crystallizes", "in", "the", "cubic", "Fd", "-", "3m", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "12", "-", "coordinate", "geometry", "to", "twelve", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Ni", "(", "1", ")", "bond", "lengths", "are", "2", ".", "81", "\u00c5", ".", "Ni", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "six", "equivalent", "Mg", "(", "1", ")", "and", "six", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "All", "Ni", "(", "1", ")", "\u2013", "Ni", "(", "1", ")", "bond", "lengths", "are", "2", ".", "39", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-102481": {"text": "Dy2AgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. Dy(1) is bonded in a body-centered cubic geometry to four equivalent Ag(1) and four equivalent Zn(1) atoms. All Dy(1)\u2013Ag(1) bond lengths are 3.10 \u00c5. All Dy(1)\u2013Zn(1) bond lengths are 3.10 \u00c5. Ag(1) is bonded in a body-centered cubic geometry to eight equivalent Dy(1) atoms. Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Dy(1) atoms.", "tokens": ["[CLS]", "Dy", "##2A", "##g", "##Zn", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Dy", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Ag", "(", "1", ")", "and", "four", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "All", "Dy", "(", "1", ")", "\u2013", "Ag", "(", "1", ")", "bond", "lengths", "are", "3", ".", "10", "\u00c5", ".", "All", "Dy", "(", "1", ")", "\u2013", "Zn", "(", "1", ")", "bond", "lengths", "are", "3", ".", "10", "\u00c5", ".", "Ag", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Dy", "(", "1", ")", "atoms", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Dy", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-15523": {"text": "Zr2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in an octahedral geometry to three equivalent Sb(1) and three equivalent P(1) atoms. All Zr(1)\u2013Sb(1) bond lengths are 2.97 \u00c5. All Zr(1)\u2013P(1) bond lengths are 2.61 \u00c5. Sb(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent Zr(1) atoms. P(1) is bonded in an octahedral geometry to six equivalent Zr(1) atoms.", "tokens": ["[CLS]", "Zr", "##2S", "##b", "##P", "is", "H", "-", "Phase", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3", "/", "mm", "##c", "space", "group", ".", "Zr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Sb", "(", "1", ")", "and", "three", "equivalent", "P", "(", "1", ")", "atoms", ".", "All", "Zr", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "2", ".", "97", "\u00c5", ".", "All", "Zr", "(", "1", ")", "\u2013", "P", "(", "1", ")", "bond", "lengths", "are", "2", ".", "61", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "pyramidal", "geometry", "to", "six", "equivalent", "Zr", "(", "1", ")", "atoms", ".", "P", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Zr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-107194": {"text": "AgAgMg crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 10-coordinate geometry to ten equivalent Ag(1) atoms. There are a spread of Mg(1)\u2013Ag(1) bond distances ranging from 2.85\u20133.00 \u00c5. Ag(1) is bonded in a 5-coordinate geometry to five equivalent Mg(1) atoms.", "tokens": ["[CLS]", "Ag", "##Ag", "##Mg", "crystallizes", "in", "the", "orthorhombic", "Cm", "##cm", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "10", "-", "coordinate", "geometry", "to", "ten", "equivalent", "Ag", "(", "1", ")", "atoms", ".", "There", "are", "a", "spread", "of", "Mg", "(", "1", ")", "\u2013", "Ag", "(", "1", ")", "bond", "distances", "ranging", "from", "2", ".", "85", "\u2013", "3", ".", "00", "\u00c5", ".", "Ag", "(", "1", ")", "is", "bonded", "in", "a", "5", "-", "coordinate", "geometry", "to", "five", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-15634": {"text": "Ni2AlHf is Heusler structured and crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. All Hf(1)\u2013Ni(1) bond lengths are 2.63 \u00c5. Ni(1) is bonded in a body-centered cubic geometry to four equivalent Hf(1) and four equivalent Al(1) atoms. All Ni(1)\u2013Al(1) bond lengths are 2.63 \u00c5. Al(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) atoms.", "tokens": ["[CLS]", "Ni2", "##Al", "##Hf", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Hf", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "All", "Hf", "(", "1", ")", "\u2013", "Ni", "(", "1", ")", "bond", "lengths", "are", "2", ".", "63", "\u00c5", ".", "Ni", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Hf", "(", "1", ")", "and", "four", "equivalent", "Al", "(", "1", ")", "atoms", ".", "All", "Ni", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "2", ".", "63", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ni", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-104874": {"text": "Sr2TlPb is Heusler structured and crystallizes in the cubic Fm-3m space group. Sr(1) is bonded in a body-centered cubic geometry to four equivalent Tl(1) and four equivalent Pb(1) atoms. All Sr(1)\u2013Tl(1) bond lengths are 3.54 \u00c5. All Sr(1)\u2013Pb(1) bond lengths are 3.54 \u00c5. Tl(1) is bonded in a body-centered cubic geometry to eight equivalent Sr(1) atoms. Pb(1) is bonded in a body-centered cubic geometry to eight equivalent Sr(1) atoms.", "tokens": ["[CLS]", "Sr2", "##T", "##l", "##Pb", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Tl", "(", "1", ")", "and", "four", "equivalent", "Pb", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "Tl", "(", "1", ")", "bond", "lengths", "are", "3", ".", "54", "\u00c5", ".", "All", "Sr", "(", "1", ")", "\u2013", "Pb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "54", "\u00c5", ".", "Tl", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "Pb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-104607": {"text": "PmHg2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. Pm(1) is bonded in a body-centered cubic geometry to eight equivalent Hg(1) atoms. All Pm(1)\u2013Hg(1) bond lengths are 3.11 \u00c5. Hg(1) is bonded in a body-centered cubic geometry to four equivalent Pm(1) and four equivalent Zn(1) atoms. All Hg(1)\u2013Zn(1) bond lengths are 3.11 \u00c5. Zn(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Hg(1) atoms.", "tokens": ["[CLS]", "Pm", "##Hg", "##2", "##Zn", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Pm", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "All", "Pm", "(", "1", ")", "\u2013", "Hg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "11", "\u00c5", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Pm", "(", "1", ")", "and", "four", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "All", "Hg", "(", "1", ")", "\u2013", "Zn", "(", "1", ")", "bond", "lengths", "are", "3", ".", "11", "\u00c5", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-15423": {"text": "TlCrTe2 crystallizes in the trigonal P-3m1 space group. Cr(1) is bonded in an octahedral geometry to six equivalent Te(1) atoms. All Cr(1)\u2013Te(1) bond lengths are 2.77 \u00c5. Tl(1) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. All Tl(1)\u2013Te(1) bond lengths are 3.46 \u00c5. Te(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1) and three equivalent Tl(1) atoms.", "tokens": ["[CLS]", "Tl", "##Cr", "##Te2", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Cr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Cr", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "2", ".", "77", "\u00c5", ".", "Tl", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "six", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Tl", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "3", ".", "46", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "three", "equivalent", "Cr", "(", "1", ")", "and", "three", "equivalent", "Tl", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-54719": {"text": "NH4NO3 is Indium-like structured and crystallizes in the monoclinic C2 space group.", "tokens": ["[CLS]", "NH4", "##NO3", "is", "Ind", "##ium", "-", "like", "structured", "and", "crystallizes", "in", "the", "monoclinic", "C2", "space", "group", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-19917": {"text": "Cr3Rh crystallizes in the cubic Pm-3n space group. Cr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1) and four equivalent Rh(1) atoms. Both Cr(1)\u2013Cr(1) bond lengths are 2.31 \u00c5. All Cr(1)\u2013Rh(1) bond lengths are 2.58 \u00c5. Rh(1) is bonded in a cuboctahedral geometry to twelve equivalent Cr(1) atoms.", "tokens": ["[CLS]", "Cr3", "##Rh", "crystallizes", "in", "the", "cubic", "Pm", "-", "3n", "space", "group", ".", "Cr", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "two", "equivalent", "Cr", "(", "1", ")", "and", "four", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "Both", "Cr", "(", "1", ")", "\u2013", "Cr", "(", "1", ")", "bond", "lengths", "are", "2", ".", "31", "\u00c5", ".", "All", "Cr", "(", "1", ")", "\u2013", "Rh", "(", "1", ")", "bond", "lengths", "are", "2", ".", "58", "\u00c5", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Cr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-106811": {"text": "Er2CuAl is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded in a body-centered cubic geometry to four equivalent Cu(1) and four equivalent Al(1) atoms. All Er(1)\u2013Cu(1) bond lengths are 2.96 \u00c5. All Er(1)\u2013Al(1) bond lengths are 3.10 \u00c5. Cu(1) is bonded in a body-centered cubic geometry to eight equivalent Er(1) atoms. Al(1) is bonded in a body-centered cubic geometry to eight equivalent Er(1) atoms.", "tokens": ["[CLS]", "Er", "##2C", "##u", "##Al", "is", "Heusler", "-", "like", "structured", "and", "crystallizes", "in", "the", "tetragonal", "P4", "/", "mm", "##m", "space", "group", ".", "Er", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Cu", "(", "1", ")", "and", "four", "equivalent", "Al", "(", "1", ")", "atoms", ".", "All", "Er", "(", "1", ")", "\u2013", "Cu", "(", "1", ")", "bond", "lengths", "are", "2", ".", "96", "\u00c5", ".", "All", "Er", "(", "1", ")", "\u2013", "Al", "(", "1", ")", "bond", "lengths", "are", "3", ".", "10", "\u00c5", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Er", "(", "1", ")", "atoms", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Er", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1606": {"text": "NaErSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded in an octahedral geometry to six equivalent Se(1) atoms. All Na(1)\u2013Se(1) bond lengths are 3.01 \u00c5. Er(1) is bonded in an octahedral geometry to six equivalent Se(1) atoms. All Er(1)\u2013Se(1) bond lengths are 2.85 \u00c5. Se(1) is bonded in an octahedral geometry to three equivalent Na(1) and three equivalent Er(1) atoms.", "tokens": ["[CLS]", "Na", "##E", "##r", "##Se2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Na", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Na", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "3", ".", "01", "\u00c5", ".", "Er", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Er", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "85", "\u00c5", ".", "Se", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Na", "(", "1", ")", "and", "three", "equivalent", "Er", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-2724": {"text": "CuAlSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Cu(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. All Cu(1)\u2013Se(1) bond lengths are 2.44 \u00c5. Al(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. All Al(1)\u2013Se(1) bond lengths are 2.42 \u00c5. Se(1) is bonded in a tetrahedral geometry to two equivalent Cu(1) and two equivalent Al(1) atoms.", "tokens": ["[CLS]", "Cu", "##Al", "##Se2", "is", "Cha", "##lc", "##opyr", "##ite", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I", "-", "42", "##d", "space", "group", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Cu", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "44", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Al", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "42", "\u00c5", ".", "Se", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "two", "equivalent", "Cu", "(", "1", ")", "and", "two", "equivalent", "Al", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-22522": {"text": "BeO is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. Be(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All Be(1)\u2013O(1) bond lengths are 1.66 \u00c5. O(1) is bonded in a tetrahedral geometry to four equivalent Be(1) atoms.", "tokens": ["[CLS]", "Be", "##O", "is", "Zinc", "##blende", ",", "Sp", "##hal", "##erite", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Be", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Be", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "66", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Be", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-15253": {"text": "YbRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Yb(1) is bonded in a cuboctahedral geometry to twelve equivalent Rh(1) atoms. All Yb(1)\u2013Rh(1) bond lengths are 2.94 \u00c5. Rh(1) is bonded in a distorted octahedral geometry to four equivalent Yb(1) and two equivalent B(1) atoms. Both Rh(1)\u2013B(1) bond lengths are 2.08 \u00c5. B(1) is bonded in an octahedral geometry to six equivalent Rh(1) atoms.", "tokens": ["[CLS]", "Yb", "##Rh", "##3B", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Yb", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "All", "Yb", "(", "1", ")", "\u2013", "Rh", "(", "1", ")", "bond", "lengths", "are", "2", ".", "94", "\u00c5", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "four", "equivalent", "Yb", "(", "1", ")", "and", "two", "equivalent", "B", "(", "1", ")", "atoms", ".", "Both", "Rh", "(", "1", ")", "\u2013", "B", "(", "1", ")", "bond", "lengths", "are", "2", ".", "08", "\u00c5", ".", "B", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Rh", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-1531": {"text": "RbDyS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Rb(1) is bonded in a distorted octahedral geometry to six equivalent S(1) atoms. All Rb(1)\u2013S(1) bond lengths are 3.30 \u00c5. Dy(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Dy(1)\u2013S(1) bond lengths are 2.77 \u00c5. S(1) is bonded in an octahedral geometry to three equivalent Rb(1) and three equivalent Dy(1) atoms.", "tokens": ["[CLS]", "Rb", "##D", "##y", "##S2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Rb", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "3", ".", "30", "\u00c5", ".", "Dy", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Dy", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "77", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Rb", "(", "1", ")", "and", "three", "equivalent", "Dy", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-16927": {"text": "CoS2 crystallizes in the trigonal R-3m space group. Co(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Co(1)\u2013S(1) bond lengths are 2.25 \u00c5. S(1) is bonded in a 3-coordinate geometry to three equivalent Co(1) atoms.", "tokens": ["[CLS]", "Co", "##S2", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Co", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Co", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "25", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "a", "3", "-", "coordinate", "geometry", "to", "three", "equivalent", "Co", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-107099": {"text": "Rb2IrF6Hg crystallizes in the cubic Fm-3m space group. In the Rb2IrF6 framework, Rb(1) is bonded in a cuboctahedral geometry to twelve equivalent F(1) atoms. All Rb(1)\u2013F(1) bond lengths are 3.32 \u00c5. Ir(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Ir(1)\u2013F(1) bond lengths are 1.99 \u00c5. F(1) is bonded in a single-bond geometry to four equivalent Rb(1) and one Ir(1) atom.", "tokens": ["[CLS]", "Rb", "##2", "##Ir", "##F6", "##Hg", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "In", "the", "Rb", "##2", "##Ir", "##F6", "framework", ",", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Rb", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "3", ".", "32", "\u00c5", ".", "Ir", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Ir", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "99", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "single", "-", "bond", "geometry", "to", "four", "equivalent", "Rb", "(", "1", ")", "and", "one", "Ir", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-2628": {"text": "SbNSr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sr(1) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. All Sr(1)\u2013Sb(1) bond lengths are 3.66 \u00c5. Both Sr(1)\u2013N(1) bond lengths are 2.59 \u00c5. Sb(1) is bonded in a cuboctahedral geometry to twelve equivalent Sr(1) atoms. N(1) is bonded in an octahedral geometry to six equivalent Sr(1) atoms.", "tokens": ["[CLS]", "Sb", "##NS", "##r3", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "and", "two", "equivalent", "N", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "66", "\u00c5", ".", "Both", "Sr", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "2", ".", "59", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "N", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Sr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-59593": {"text": "Ni(RhO2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Rh(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Rh(1)\u2013O(1) bond lengths are 2.06 \u00c5. Ni(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All Ni(1)\u2013O(1) bond lengths are 1.98 \u00c5. O(1) is bonded in a distorted trigonal pyramidal geometry to three equivalent Rh(1) and one Ni(1) atom.", "tokens": ["[CLS]", "Ni", "(", "Rh", "##O2", ")", "2", "is", "Spin", "##el", "structured", "and", "crystallizes", "in", "the", "cubic", "Fd", "-", "3m", "space", "group", ".", "Rh", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Rh", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "06", "\u00c5", ".", "Ni", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Ni", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "98", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "trigonal", "pyramidal", "geometry", "to", "three", "equivalent", "Rh", "(", "1", ")", "and", "one", "Ni", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-107208": {"text": "NdYIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. Nd(1) is bonded in a body-centered cubic geometry to eight equivalent In(1) atoms. All Nd(1)\u2013In(1) bond lengths are 3.29 \u00c5. Y(1) is bonded in a body-centered cubic geometry to eight equivalent In(1) atoms. All Y(1)\u2013In(1) bond lengths are 3.29 \u00c5. In(1) is bonded in a body-centered cubic geometry to four equivalent Nd(1) and four equivalent Y(1) atoms.", "tokens": ["[CLS]", "Nd", "##Y", "##In", "##2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Nd", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "In", "(", "1", ")", "atoms", ".", "All", "Nd", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "3", ".", "29", "\u00c5", ".", "Y", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "In", "(", "1", ")", "atoms", ".", "All", "Y", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "3", ".", "29", "\u00c5", ".", "In", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Nd", "(", "1", ")", "and", "four", "equivalent", "Y", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-107439": {"text": "TmDyIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. Tm(1) is bonded in a body-centered cubic geometry to eight equivalent In(1) atoms. All Tm(1)\u2013In(1) bond lengths are 3.22 \u00c5. Dy(1) is bonded in a body-centered cubic geometry to eight equivalent In(1) atoms. All Dy(1)\u2013In(1) bond lengths are 3.22 \u00c5. In(1) is bonded in a body-centered cubic geometry to four equivalent Tm(1) and four equivalent Dy(1) atoms.", "tokens": ["[CLS]", "Tm", "##D", "##y", "##In", "##2", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Tm", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "In", "(", "1", ")", "atoms", ".", "All", "Tm", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "3", ".", "22", "\u00c5", ".", "Dy", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "In", "(", "1", ")", "atoms", ".", "All", "Dy", "(", "1", ")", "\u2013", "In", "(", "1", ")", "bond", "lengths", "are", "3", ".", "22", "\u00c5", ".", "In", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Tm", "(", "1", ")", "and", "four", "equivalent", "Dy", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-2274": {"text": "Cu3VS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. V(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. All V(1)\u2013S(1) bond lengths are 2.23 \u00c5. Cu(1) is bonded in a distorted tetrahedral geometry to four equivalent S(1) atoms. All Cu(1)\u2013S(1) bond lengths are 2.30 \u00c5. S(1) is bonded in a distorted tetrahedral geometry to one V(1) and three equivalent Cu(1) atoms.", "tokens": ["[CLS]", "Cu3", "##VS", "##4", "is", "Su", "##l", "##van", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "P", "-", "43", "##m", "space", "group", ".", "V", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "V", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "23", "\u00c5", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "tetrahedral", "geometry", "to", "four", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Cu", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "30", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "tetrahedral", "geometry", "to", "one", "V", "(", "1", ")", "and", "three", "equivalent", "Cu", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-7633": {"text": "SiO2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. Si(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Si(1)\u2013O(1) bond lengths are 1.98 \u00c5. O(1) is bonded in a tetrahedral geometry to four equivalent Si(1) atoms.", "tokens": ["[CLS]", "SiO2", "is", "Fluor", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Si", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Si", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "98", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Si", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-15126": {"text": "TbPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Tb(1) is bonded in a cuboctahedral geometry to twelve equivalent Pd(1) atoms. All Tb(1)\u2013Pd(1) bond lengths are 3.05 \u00c5. Pd(1) is bonded in a distorted octahedral geometry to four equivalent Tb(1) and two equivalent B(1) atoms. Both Pd(1)\u2013B(1) bond lengths are 2.16 \u00c5. B(1) is bonded in an octahedral geometry to six equivalent Pd(1) atoms.", "tokens": ["[CLS]", "Tb", "##Pd", "##3B", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Tb", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Pd", "(", "1", ")", "atoms", ".", "All", "Tb", "(", "1", ")", "\u2013", "Pd", "(", "1", ")", "bond", "lengths", "are", "3", ".", "05", "\u00c5", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "four", "equivalent", "Tb", "(", "1", ")", "and", "two", "equivalent", "B", "(", "1", ")", "atoms", ".", "Both", "Pd", "(", "1", ")", "\u2013", "B", "(", "1", ")", "bond", "lengths", "are", "2", ".", "16", "\u00c5", ".", "B", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Pd", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-107218": {"text": "ScAu2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a body-centered cubic geometry to eight equivalent Au(1) atoms. All Sc(1)\u2013Au(1) bond lengths are 2.85 \u00c5. Au(1) is bonded in a body-centered cubic geometry to four equivalent Sc(1) and four equivalent Zn(1) atoms. All Au(1)\u2013Zn(1) bond lengths are 2.85 \u00c5. Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Au(1) atoms.", "tokens": ["[CLS]", "Sc", "##Au", "##2", "##Zn", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Au", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "Au", "(", "1", ")", "bond", "lengths", "are", "2", ".", "85", "\u00c5", ".", "Au", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Sc", "(", "1", ")", "and", "four", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "All", "Au", "(", "1", ")", "\u2013", "Zn", "(", "1", ")", "bond", "lengths", "are", "2", ".", "85", "\u00c5", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Au", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-106599": {"text": "Sc2PdZn is Heusler structured and crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a body-centered cubic geometry to four equivalent Pd(1) and four equivalent Zn(1) atoms. All Sc(1)\u2013Pd(1) bond lengths are 2.87 \u00c5. All Sc(1)\u2013Zn(1) bond lengths are 2.87 \u00c5. Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Sc(1) atoms. Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Sc(1) atoms.", "tokens": ["[CLS]", "Sc", "##2P", "##d", "##Zn", "is", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Sc", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Pd", "(", "1", ")", "and", "four", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "All", "Sc", "(", "1", ")", "\u2013", "Pd", "(", "1", ")", "bond", "lengths", "are", "2", ".", "87", "\u00c5", ".", "All", "Sc", "(", "1", ")", "\u2013", "Zn", "(", "1", ")", "bond", "lengths", "are", "2", ".", "87", "\u00c5", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Sc", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-22610": {"text": "CrHgF6 crystallizes in the trigonal R-3 space group. Cr(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Cr(1)\u2013F(1) bond lengths are 1.83 \u00c5. Hg(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Hg(1)\u2013F(1) bond lengths are 2.36 \u00c5. F(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Hg(1) atom.", "tokens": ["[CLS]", "Cr", "##Hg", "##F6", "crystallizes", "in", "the", "trigonal", "R", "-", "3", "space", "group", ".", "Cr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Cr", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "83", "\u00c5", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Hg", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "36", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "bent", "120", "degrees", "geometry", "to", "one", "Cr", "(", "1", ")", "and", "one", "Hg", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-7991": {"text": "ZnO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Zn(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Zn(1)\u2013O(1) bond lengths are 2.16 \u00c5. O(1) is bonded in an octahedral geometry to six equivalent Zn(1) atoms.", "tokens": ["[CLS]", "ZnO", "is", "Hal", "##ite", ",", "Rock", "Salt", "structured", "and", "crystallizes", "in", "the", "cubic", "Fm", "-", "3m", "space", "group", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Zn", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "16", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-7762": {"text": "MgTe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. Mg(1) is bonded in a tetrahedral geometry to four equivalent Te(1) atoms. All Mg(1)\u2013Te(1) bond lengths are 2.80 \u00c5. Te(1) is bonded in a tetrahedral geometry to four equivalent Mg(1) atoms.", "tokens": ["[CLS]", "Mg", "##Te", "is", "Zinc", "##blende", ",", "Sp", "##hal", "##erite", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "2", ".", "80", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-14265": {"text": "RuC is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. Ru(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent C(1) atoms. All Ru(1)\u2013C(1) bond lengths are 2.16 \u00c5. C(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent Ru(1) atoms.", "tokens": ["[CLS]", "Ru", "##C", "is", "Tun", "##gst", "##en", "Carb", "##ide", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P", "-", "6", "##m2", "space", "group", ".", "Ru", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "pyramidal", "geometry", "to", "six", "equivalent", "C", "(", "1", ")", "atoms", ".", "All", "Ru", "(", "1", ")", "\u2013", "C", "(", "1", ")", "bond", "lengths", "are", "2", ".", "16", "\u00c5", ".", "C", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "pyramidal", "geometry", "to", "six", "equivalent", "Ru", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-3087": {"text": "YbZn2As2 crystallizes in the trigonal P-3m1 space group. Yb(1) is bonded in an octahedral geometry to six equivalent As(1) atoms. All Yb(1)\u2013As(1) bond lengths are 2.98 \u00c5. Zn(1) is bonded in a tetrahedral geometry to four equivalent As(1) atoms. There are three shorter (2.53 \u00c5) and one longer (2.65 \u00c5) Zn(1)\u2013As(1) bond length. As(1) is bonded in a distorted pentagonal bipyramidal geometry to three equivalent Yb(1) and four equivalent Zn(1) atoms.", "tokens": ["[CLS]", "Yb", "##Zn", "##2A", "##s2", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Yb", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Yb", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "2", ".", "98", "\u00c5", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "As", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "2", ".", "53", "\u00c5", ")", "and", "one", "longer", "(", "2", ".", "65", "\u00c5", ")", "Zn", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "length", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "bipyramidal", "geometry", "to", "three", "equivalent", "Yb", "(", "1", ")", "and", "four", "equivalent", "Zn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-14309": {"text": "CdInS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Cd(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All Cd(1)\u2013S(1) bond lengths are 2.77 \u00c5. In(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All In(1)\u2013S(1) bond lengths are 2.84 \u00c5. S(1) is bonded in a distorted pentagonal pyramidal geometry to three equivalent Cd(1) and three equivalent In(1) atoms.", "tokens": ["[CLS]", "Cd", "##In", "##S2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "-", "like", "structured", "and", "crystallizes", "in", "the", "trigonal", "P", "-", "3m", "##1", "space", "group", ".", "Cd", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Cd", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "77", "\u00c5", ".", "In", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "In", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "84", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "pentagonal", "pyramidal", "geometry", "to", "three", "equivalent", "Cd", "(", "1", ")", "and", "three", "equivalent", "In", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-31799": {"text": "RuF6 is Tungsten structured and crystallizes in the cubic Im-3m space group. Ru(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Ru(1)\u2013F(1) bond lengths are 1.85 \u00c5. F(1) is bonded in a single-bond geometry to one Ru(1) atom.", "tokens": ["[CLS]", "Ru", "##F6", "is", "Tun", "##gst", "##en", "structured", "and", "crystallizes", "in", "the", "cubic", "Im", "-", "3m", "space", "group", ".", "Ru", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Ru", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "1", ".", "85", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "single", "-", "bond", "geometry", "to", "one", "Ru", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-1273": {"text": "MgTe is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. Mg(1) is bonded in a tetrahedral geometry to four equivalent Te(1) atoms. All Mg(1)\u2013Te(1) bond lengths are 2.80 \u00c5. Te(1) is bonded in a tetrahedral geometry to four equivalent Mg(1) atoms.", "tokens": ["[CLS]", "Mg", "##Te", "is", "Wu", "##rt", "##zi", "##te", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "_", "3m", "##c", "space", "group", ".", "Mg", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Te", "(", "1", ")", "atoms", ".", "All", "Mg", "(", "1", ")", "\u2013", "Te", "(", "1", ")", "bond", "lengths", "are", "2", ".", "80", "\u00c5", ".", "Te", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Mg", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-51211": {"text": "NbWCr is half-Heusler structured and crystallizes in the cubic F-43m space group. Nb(1) is bonded in a tetrahedral geometry to four equivalent W(1) atoms. All Nb(1)\u2013W(1) bond lengths are 2.62 \u00c5. W(1) is bonded in a body-centered cubic geometry to four equivalent Nb(1) and four equivalent Cr(1) atoms. All W(1)\u2013Cr(1) bond lengths are 2.62 \u00c5. Cr(1) is bonded in a tetrahedral geometry to four equivalent W(1) atoms.", "tokens": ["[CLS]", "Nb", "##WC", "##r", "is", "half", "-", "Heusler", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Nb", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "W", "(", "1", ")", "atoms", ".", "All", "Nb", "(", "1", ")", "\u2013", "W", "(", "1", ")", "bond", "lengths", "are", "2", ".", "62", "\u00c5", ".", "W", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "four", "equivalent", "Nb", "(", "1", ")", "and", "four", "equivalent", "Cr", "(", "1", ")", "atoms", ".", "All", "W", "(", "1", ")", "\u2013", "Cr", "(", "1", ")", "bond", "lengths", "are", "2", ".", "62", "\u00c5", ".", "Cr", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "W", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-18692": {"text": "DyGa crystallizes in the orthorhombic Cmcm space group. Dy(1) is bonded in a 7-coordinate geometry to seven equivalent Ga(1) atoms. There are a spread of Dy(1)\u2013Ga(1) bond distances ranging from 3.03\u20133.19 \u00c5. Ga(1) is bonded in a 9-coordinate geometry to seven equivalent Dy(1) and two equivalent Ga(1) atoms. Both Ga(1)\u2013Ga(1) bond lengths are 2.63 \u00c5.", "tokens": ["[CLS]", "Dy", "##Ga", "crystallizes", "in", "the", "orthorhombic", "Cm", "##cm", "space", "group", ".", "Dy", "(", "1", ")", "is", "bonded", "in", "a", "7", "-", "coordinate", "geometry", "to", "seven", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "There", "are", "a", "spread", "of", "Dy", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "distances", "ranging", "from", "3", ".", "03", "\u2013", "3", ".", "19", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "9", "-", "coordinate", "geometry", "to", "seven", "equivalent", "Dy", "(", "1", ")", "and", "two", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "Both", "Ga", "(", "1", ")", "\u2013", "Ga", "(", "1", ")", "bond", "lengths", "are", "2", ".", "63", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-8005": {"text": "OsSi crystallizes in the cubic P2_13 space group. Os(1) is bonded in a 7-coordinate geometry to seven equivalent Si(1) atoms. There are a spread of Os(1)\u2013Si(1) bond distances ranging from 2.39\u20132.84 \u00c5. Si(1) is bonded in a 7-coordinate geometry to seven equivalent Os(1) atoms.", "tokens": ["[CLS]", "Os", "##Si", "crystallizes", "in", "the", "cubic", "P2", "_", "13", "space", "group", ".", "Os", "(", "1", ")", "is", "bonded", "in", "a", "7", "-", "coordinate", "geometry", "to", "seven", "equivalent", "Si", "(", "1", ")", "atoms", ".", "There", "are", "a", "spread", "of", "Os", "(", "1", ")", "\u2013", "Si", "(", "1", ")", "bond", "distances", "ranging", "from", "2", ".", "39", "\u2013", "2", ".", "84", "\u00c5", ".", "Si", "(", "1", ")", "is", "bonded", "in", "a", "7", "-", "coordinate", "geometry", "to", "seven", "equivalent", "Os", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-38321": {"text": "RbFe2As2 crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent As(1) atoms. All Rb(1)\u2013As(1) bond lengths are 3.48 \u00c5. Fe(1) is bonded in a tetrahedral geometry to four equivalent As(1) atoms. All Fe(1)\u2013As(1) bond lengths are 2.34 \u00c5. As(1) is bonded in a 8-coordinate geometry to four equivalent Rb(1) and four equivalent Fe(1) atoms.", "tokens": ["[CLS]", "Rb", "##Fe2", "##As2", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Rb", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "3", ".", "48", "\u00c5", ".", "Fe", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "As", "(", "1", ")", "atoms", ".", "All", "Fe", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "2", ".", "34", "\u00c5", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "8", "-", "coordinate", "geometry", "to", "four", "equivalent", "Rb", "(", "1", ")", "and", "four", "equivalent", "Fe", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-8619": {"text": "SrCrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sr(1) is bonded in a cuboctahedral geometry to twelve equivalent O(1) atoms. All Sr(1)\u2013O(1) bond lengths are 2.71 \u00c5. Cr(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Cr(1)\u2013O(1) bond lengths are 1.92 \u00c5. O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Cr(1) atoms.", "tokens": ["[CLS]", "Sr", "##Cr", "##O3", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Sr", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Sr", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "71", "\u00c5", ".", "Cr", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Cr", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "92", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "linear", "geometry", "to", "four", "equivalent", "Sr", "(", "1", ")", "and", "two", "equivalent", "Cr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-7895": {"text": "LiMoO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Li(1)\u2013O(1) bond lengths are 2.06 \u00c5. Mo(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Mo(1)\u2013O(1) bond lengths are 2.13 \u00c5. O(1) is bonded in an octahedral geometry to three equivalent Li(1) and three equivalent Mo(1) atoms.", "tokens": ["[CLS]", "Li", "##Mo", "##O2", "is", "Cas", "##well", "##sil", "##ver", "##ite", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3m", "space", "group", ".", "Li", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Li", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "06", "\u00c5", ".", "Mo", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Mo", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "13", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "three", "equivalent", "Li", "(", "1", ")", "and", "three", "equivalent", "Mo", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-4340": {"text": "AuCd is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. Au(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Cd(1) atoms. There are a spread of Au(1)\u2013Cd(1) bond distances ranging from 2.94\u20132.98 \u00c5. Cd(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Au(1) atoms.", "tokens": ["[CLS]", "Au", "##Cd", "is", "beta", "-", "prime", "cadmium", "gold", "structured", "and", "crystallizes", "in", "the", "orthorhombic", "Pm", "##ma", "space", "group", ".", "Au", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Cd", "(", "1", ")", "atoms", ".", "There", "are", "a", "spread", "of", "Au", "(", "1", ")", "\u2013", "Cd", "(", "1", ")", "bond", "distances", "ranging", "from", "2", ".", "94", "\u2013", "2", ".", "98", "\u00c5", ".", "Cd", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Au", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-7643": {"text": "NaAlSe2 crystallizes in the tetragonal I4/mcm space group. Na(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. All Na(1)\u2013Se(1) bond lengths are 3.24 \u00c5. Al(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. All Al(1)\u2013Se(1) bond lengths are 2.43 \u00c5. Se(1) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Al(1) atoms.", "tokens": ["[CLS]", "NaAl", "##Se2", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mc", "##m", "space", "group", ".", "Na", "(", "1", ")", "is", "bonded", "in", "a", "8", "-", "coordinate", "geometry", "to", "eight", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Na", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "3", ".", "24", "\u00c5", ".", "Al", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Al", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "43", "\u00c5", ".", "Se", "(", "1", ")", "is", "bonded", "in", "a", "6", "-", "coordinate", "geometry", "to", "four", "equivalent", "Na", "(", "1", ")", "and", "two", "equivalent", "Al", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-7899": {"text": "WO3 is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. W(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All W(1)\u2013O(1) bond lengths are 1.92 \u00c5. O(1) is bonded in a linear geometry to two equivalent W(1) atoms.", "tokens": ["[CLS]", "WO3", "is", "alpha", "Rhe", "##ni", "##um", "tri", "##oxide", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "W", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "W", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "92", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "W", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-52247": {"text": "BiOF crystallizes in the orthorhombic Pnma space group. Bi(1) is bonded in a 5-coordinate geometry to four equivalent O(1) and one F(1) atom. There are a spread of Bi(1)\u2013O(1) bond distances ranging from 2.28\u20132.62 \u00c5. The Bi(1)\u2013F(1) bond length is 2.42 \u00c5. O(1) is bonded in a tetrahedral geometry to four equivalent Bi(1) atoms. F(1) is bonded in a single-bond geometry to one Bi(1) atom.", "tokens": ["[CLS]", "BiO", "##F", "crystallizes", "in", "the", "orthorhombic", "Pn", "##ma", "space", "group", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "5", "-", "coordinate", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "and", "one", "F", "(", "1", ")", "atom", ".", "There", "are", "a", "spread", "of", "Bi", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "distances", "ranging", "from", "2", ".", "28", "\u2013", "2", ".", "62", "\u00c5", ".", "The", "Bi", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "length", "is", "2", ".", "42", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "single", "-", "bond", "geometry", "to", "one", "Bi", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-8236": {"text": "SnAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. In the SnO3 framework, Sn(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Sn(1)\u2013O(1) bond lengths are 2.02 \u00c5. O(1) is bonded in a linear geometry to two equivalent Sn(1) atoms.", "tokens": ["[CLS]", "Sn", "##AlO3", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "In", "the", "Sn", "##O3", "framework", ",", "Sn", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Sn", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "02", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "Sn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-8062": {"text": "BaCO3 crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. There are three shorter (2.75 \u00c5) and six longer (2.87 \u00c5) Ba(1)\u2013O(1) bond lengths. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All C(1)\u2013O(1) bond lengths are 1.30 \u00c5. O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one C(1) atom.", "tokens": ["[CLS]", "Ba", "##CO3", "crystallizes", "in", "the", "trigonal", "R3", "##m", "space", "group", ".", "Ba", "(", "1", ")", "is", "bonded", "in", "a", "9", "-", "coordinate", "geometry", "to", "nine", "equivalent", "O", "(", "1", ")", "atoms", ".", "There", "are", "three", "shorter", "(", "2", ".", "75", "\u00c5", ")", "and", "six", "longer", "(", "2", ".", "87", "\u00c5", ")", "Ba", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", ".", "C", "(", "1", ")", "is", "bonded", "in", "a", "trigonal", "planar", "geometry", "to", "three", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "C", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "30", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "single", "-", "bond", "geometry", "to", "three", "equivalent", "Ba", "(", "1", ")", "and", "one", "C", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-51260": {"text": "(B)2(TlCl)2Cl2 crystallizes in the cubic F-43m space group. In the TlCl framework, Tl(1) is bonded in a tetrahedral geometry to four equivalent Cl(1) atoms. All Tl(1)\u2013Cl(1) bond lengths are 3.08 \u00c5. Cl(1) is bonded in a tetrahedral geometry to four equivalent Tl(1) atoms.", "tokens": ["[CLS]", "(", "B", ")", "2", "(", "Tl", "##Cl", ")", "2Cl2", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "In", "the", "Tl", "##Cl", "framework", ",", "Tl", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Cl", "(", "1", ")", "atoms", ".", "All", "Tl", "(", "1", ")", "\u2013", "Cl", "(", "1", ")", "bond", "lengths", "are", "3", ".", "08", "\u00c5", ".", "Cl", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Tl", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-8281": {"text": "CaBiF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Ca(1)\u2013F(1) bond lengths are 2.27 \u00c5. Bi(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. All Bi(1)\u2013F(1) bond lengths are 2.17 \u00c5. F(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Bi(1) atom.", "tokens": ["[CLS]", "Ca", "##Bi", "##F6", "is", "Upper", "Ba", "##inite", "-", "derived", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Ca", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "27", "\u00c5", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "F", "(", "1", ")", "atoms", ".", "All", "Bi", "(", "1", ")", "\u2013", "F", "(", "1", ")", "bond", "lengths", "are", "2", ".", "17", "\u00c5", ".", "F", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "bent", "150", "degrees", "geometry", "to", "one", "Ca", "(", "1", ")", "and", "one", "Bi", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-52489": {"text": "RbNO3 is Calcite-like structured and crystallizes in the trigonal R32 space group. Rb(1) is bonded in a distorted octahedral geometry to six equivalent O(1) atoms. All Rb(1)\u2013O(1) bond lengths are 2.88 \u00c5. N(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All N(1)\u2013O(1) bond lengths are 1.27 \u00c5. O(1) is bonded in a distorted trigonal planar geometry to two equivalent Rb(1) and one N(1) atom.", "tokens": ["[CLS]", "Rb", "##NO3", "is", "Calc", "##ite", "-", "like", "structured", "and", "crystallizes", "in", "the", "trigonal", "R3", "##2", "space", "group", ".", "Rb", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "six", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Rb", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "88", "\u00c5", ".", "N", "(", "1", ")", "is", "bonded", "in", "a", "trigonal", "planar", "geometry", "to", "three", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "N", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "27", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "trigonal", "planar", "geometry", "to", "two", "equivalent", "Rb", "(", "1", ")", "and", "one", "N", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-8066": {"text": "Sb2SnZn is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Zn(1) is bonded in a tetrahedral geometry to four equivalent Sb(1) atoms. All Zn(1)\u2013Sb(1) bond lengths are 2.67 \u00c5. Sn(1) is bonded in a tetrahedral geometry to four equivalent Sb(1) atoms. All Sn(1)\u2013Sb(1) bond lengths are 2.87 \u00c5. Sb(1) is bonded in a tetrahedral geometry to two equivalent Zn(1) and two equivalent Sn(1) atoms.", "tokens": ["[CLS]", "Sb2", "##Sn", "##Zn", "is", "Cha", "##lc", "##opyr", "##ite", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I", "-", "42", "##d", "space", "group", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "Zn", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "2", ".", "67", "\u00c5", ".", "Sn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "atoms", ".", "All", "Sn", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "2", ".", "87", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "two", "equivalent", "Zn", "(", "1", ")", "and", "two", "equivalent", "Sn", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-12403": {"text": "ZnIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Zn(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. All Zn(1)\u2013S(1) bond lengths are 2.40 \u00c5. In(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. All In(1)\u2013S(1) bond lengths are 2.64 \u00c5. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1) and three equivalent In(1) atoms.", "tokens": ["[CLS]", "Zn", "##In", "##2S4", "is", "Spin", "##el", "structured", "and", "crystallizes", "in", "the", "cubic", "Fd", "-", "3m", "space", "group", ".", "Zn", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "Zn", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "40", "\u00c5", ".", "In", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "S", "(", "1", ")", "atoms", ".", "All", "In", "(", "1", ")", "\u2013", "S", "(", "1", ")", "bond", "lengths", "are", "2", ".", "64", "\u00c5", ".", "S", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "rectangular", "see", "-", "saw", "-", "like", "geometry", "to", "one", "Zn", "(", "1", ")", "and", "three", "equivalent", "In", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-52957": {"text": "NH4H2AsO4 crystallizes in the tetragonal I-42d space group. In the H2AsO4 framework, As(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All As(1)\u2013O(1) bond lengths are 1.72 \u00c5. H(1) is bonded in a linear geometry to two equivalent O(1) atoms. Both H(1)\u2013O(1) bond lengths are 1.21 \u00c5. O(1) is bonded in a bent 120 degrees geometry to one As(1) and one H(1) atom.", "tokens": ["[CLS]", "NH4", "##H2", "##As", "##O4", "crystallizes", "in", "the", "tetragonal", "I", "-", "42", "##d", "space", "group", ".", "In", "the", "H2", "##As", "##O4", "framework", ",", "As", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "As", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "72", "\u00c5", ".", "H", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "two", "equivalent", "O", "(", "1", ")", "atoms", ".", "Both", "H", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "21", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "bent", "120", "degrees", "geometry", "to", "one", "As", "(", "1", ")", "and", "one", "H", "(", "1", ")", "atom", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 1, 1, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-9072": {"text": "Ca3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. Ca(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent N(1) atoms. There are two shorter (2.40 \u00c5) and two longer (2.52 \u00c5) Ca(1)\u2013N(1) bond lengths. N(1) is bonded in a distorted octahedral geometry to six equivalent Ca(1) atoms.", "tokens": ["[CLS]", "Ca3", "##N2", "is", "Cor", "##undum", "structured", "and", "crystallizes", "in", "the", "trigonal", "R", "-", "3c", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "trigonal", "pyramidal", "geometry", "to", "four", "equivalent", "N", "(", "1", ")", "atoms", ".", "There", "are", "two", "shorter", "(", "2", ".", "40", "\u00c5", ")", "and", "two", "longer", "(", "2", ".", "52", "\u00c5", ")", "Ca", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", ".", "N", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "octahedral", "geometry", "to", "six", "equivalent", "Ca", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-54274": {"text": "PdO is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. Pd(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Pd(1)\u2013O(1) bond lengths are 2.43 \u00c5. O(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms.", "tokens": ["[CLS]", "PdO", "is", "Tetra", "##au", "##ric", "##up", "##rid", "##e", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Pd", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Pd", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "43", "\u00c5", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Pd", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-14097": {"text": "ErSi2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. Er(1) is bonded in a cuboctahedral geometry to twelve equivalent Si(1) atoms. All Er(1)\u2013Si(1) bond lengths are 3.07 \u00c5. Si(1) is bonded in a 9-coordinate geometry to six equivalent Er(1) and three equivalent Si(1) atoms. All Si(1)\u2013Si(1) bond lengths are 2.38 \u00c5.", "tokens": ["[CLS]", "Er", "##Si2", "is", "hexagonal", "omega", "structure", "structured", "and", "crystallizes", "in", "the", "hexagonal", "P6", "/", "mm", "##m", "space", "group", ".", "Er", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Si", "(", "1", ")", "atoms", ".", "All", "Er", "(", "1", ")", "\u2013", "Si", "(", "1", ")", "bond", "lengths", "are", "3", ".", "07", "\u00c5", ".", "Si", "(", "1", ")", "is", "bonded", "in", "a", "9", "-", "coordinate", "geometry", "to", "six", "equivalent", "Er", "(", "1", ")", "and", "three", "equivalent", "Si", "(", "1", ")", "atoms", ".", "All", "Si", "(", "1", ")", "\u2013", "Si", "(", "1", ")", "bond", "lengths", "are", "2", ".", "38", "\u00c5", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-8158": {"text": "SiC is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. Si(1) is bonded in a tetrahedral geometry to four equivalent C(1) atoms. All Si(1)\u2013C(1) bond lengths are 1.90 \u00c5. C(1) is bonded in a tetrahedral geometry to four equivalent Si(1) atoms.", "tokens": ["[CLS]", "SiC", "is", "Zinc", "##blende", ",", "Sp", "##hal", "##erite", "structured", "and", "crystallizes", "in", "the", "cubic", "F", "-", "43", "##m", "space", "group", ".", "Si", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "C", "(", "1", ")", "atoms", ".", "All", "Si", "(", "1", ")", "\u2013", "C", "(", "1", ")", "bond", "lengths", "are", "1", ".", "90", "\u00c5", ".", "C", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Si", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-8007": {"text": "LuHg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. Lu(1) is bonded in a body-centered cubic geometry to eight equivalent Hg(1) atoms. All Lu(1)\u2013Hg(1) bond lengths are 3.13 \u00c5. Hg(1) is bonded in a body-centered cubic geometry to eight equivalent Lu(1) atoms.", "tokens": ["[CLS]", "Lu", "##Hg", "is", "Tetra", "##au", "##ric", "##up", "##rid", "##e", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Lu", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Hg", "(", "1", ")", "atoms", ".", "All", "Lu", "(", "1", ")", "\u2013", "Hg", "(", "1", ")", "bond", "lengths", "are", "3", ".", "13", "\u00c5", ".", "Hg", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Lu", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-8071": {"text": "CuGaSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Cu(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. All Cu(1)\u2013Se(1) bond lengths are 2.43 \u00c5. Ga(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. All Ga(1)\u2013Se(1) bond lengths are 2.46 \u00c5. Se(1) is bonded in a tetrahedral geometry to two equivalent Cu(1) and two equivalent Ga(1) atoms.", "tokens": ["[CLS]", "Cu", "##Ga", "##Se2", "is", "Cha", "##lc", "##opyr", "##ite", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I", "-", "42", "##d", "space", "group", ".", "Cu", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Cu", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "43", "\u00c5", ".", "Ga", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Se", "(", "1", ")", "atoms", ".", "All", "Ga", "(", "1", ")", "\u2013", "Se", "(", "1", ")", "bond", "lengths", "are", "2", ".", "46", "\u00c5", ".", "Se", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "two", "equivalent", "Cu", "(", "1", ")", "and", "two", "equivalent", "Ga", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-8121": {"text": "Ca3AsN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ca(1) is bonded in a linear geometry to four equivalent As(1) and two equivalent N(1) atoms. All Ca(1)\u2013As(1) bond lengths are 3.35 \u00c5. Both Ca(1)\u2013N(1) bond lengths are 2.37 \u00c5. As(1) is bonded in a cuboctahedral geometry to twelve equivalent Ca(1) atoms. N(1) is bonded in an octahedral geometry to six equivalent Ca(1) atoms.", "tokens": ["[CLS]", "Ca3", "##As", "##N", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Ca", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "four", "equivalent", "As", "(", "1", ")", "and", "two", "equivalent", "N", "(", "1", ")", "atoms", ".", "All", "Ca", "(", "1", ")", "\u2013", "As", "(", "1", ")", "bond", "lengths", "are", "3", ".", "35", "\u00c5", ".", "Both", "Ca", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "2", ".", "37", "\u00c5", ".", "As", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Ca", "(", "1", ")", "atoms", ".", "N", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Ca", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}, "JVASP-5008": {"text": "Ce2SbO2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. Ce(1) is bonded in a 4-coordinate geometry to four equivalent Sb(1) and four equivalent O(1) atoms. All Ce(1)\u2013Sb(1) bond lengths are 3.43 \u00c5. All Ce(1)\u2013O(1) bond lengths are 2.34 \u00c5. Sb(1) is bonded in a body-centered cubic geometry to eight equivalent Ce(1) atoms. O(1) is bonded in a tetrahedral geometry to four equivalent Ce(1) atoms.", "tokens": ["[CLS]", "Ce", "##2S", "##b", "##O2", "is", "alpha", "bismuth", "trifluor", "##ide", "-", "derived", "structured", "and", "crystallizes", "in", "the", "tetragonal", "I4", "/", "mm", "##m", "space", "group", ".", "Ce", "(", "1", ")", "is", "bonded", "in", "a", "4", "-", "coordinate", "geometry", "to", "four", "equivalent", "Sb", "(", "1", ")", "and", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "Ce", "(", "1", ")", "\u2013", "Sb", "(", "1", ")", "bond", "lengths", "are", "3", ".", "43", "\u00c5", ".", "All", "Ce", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "2", ".", "34", "\u00c5", ".", "Sb", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Ce", "(", "1", ")", "atoms", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "Ce", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-7698": {"text": "NdAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. Nd(1) is bonded in a body-centered cubic geometry to eight equivalent Au(1) atoms. All Nd(1)\u2013Au(1) bond lengths are 3.21 \u00c5. Au(1) is bonded in a body-centered cubic geometry to eight equivalent Nd(1) atoms.", "tokens": ["[CLS]", "Nd", "##Au", "is", "Tetra", "##au", "##ric", "##up", "##rid", "##e", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Nd", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Au", "(", "1", ")", "atoms", ".", "All", "Nd", "(", "1", ")", "\u2013", "Au", "(", "1", ")", "bond", "lengths", "are", "3", ".", "21", "\u00c5", ".", "Au", "(", "1", ")", "is", "bonded", "in", "a", "body", "-", "centered", "cubic", "geometry", "to", "eight", "equivalent", "Nd", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-15970": {"text": "Cr3SnN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cr(1) is bonded in a linear geometry to four equivalent Sn(1) and two equivalent N(1) atoms. All Cr(1)\u2013Sn(1) bond lengths are 2.78 \u00c5. Both Cr(1)\u2013N(1) bond lengths are 1.96 \u00c5. Sn(1) is bonded in a cuboctahedral geometry to twelve equivalent Cr(1) atoms. N(1) is bonded in an octahedral geometry to six equivalent Cr(1) atoms.", "tokens": ["[CLS]", "Cr3", "##Sn", "##N", "is", "(", "Cu", "##bi", "##c", ")", "Per", "##ovsk", "##ite", "structured", "and", "crystallizes", "in", "the", "cubic", "Pm", "-", "3m", "space", "group", ".", "Cr", "(", "1", ")", "is", "bonded", "in", "a", "linear", "geometry", "to", "four", "equivalent", "Sn", "(", "1", ")", "and", "two", "equivalent", "N", "(", "1", ")", "atoms", ".", "All", "Cr", "(", "1", ")", "\u2013", "Sn", "(", "1", ")", "bond", "lengths", "are", "2", ".", "78", "\u00c5", ".", "Both", "Cr", "(", "1", ")", "\u2013", "N", "(", "1", ")", "bond", "lengths", "are", "1", ".", "96", "\u00c5", ".", "Sn", "(", "1", ")", "is", "bonded", "in", "a", "cub", "##octa", "##hedral", "geometry", "to", "twelve", "equivalent", "Cr", "(", "1", ")", "atoms", ".", "N", "(", "1", ")", "is", "bonded", "in", "an", "octahedral", "geometry", "to", "six", "equivalent", "Cr", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "label": "metal"}, "JVASP-12666": {"text": "BiVO4 crystallizes in the tetragonal I4_1/a space group. V(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All V(1)\u2013O(1) bond lengths are 1.75 \u00c5. Bi(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. There are four shorter (2.44 \u00c5) and four longer (2.49 \u00c5) Bi(1)\u2013O(1) bond lengths. O(1) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Bi(1) atoms.", "tokens": ["[CLS]", "BiVO4", "crystallizes", "in", "the", "tetragonal", "I4", "_", "1", "/", "a", "space", "group", ".", "V", "(", "1", ")", "is", "bonded", "in", "a", "tetrahedral", "geometry", "to", "four", "equivalent", "O", "(", "1", ")", "atoms", ".", "All", "V", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", "are", "1", ".", "75", "\u00c5", ".", "Bi", "(", "1", ")", "is", "bonded", "in", "a", "8", "-", "coordinate", "geometry", "to", "eight", "equivalent", "O", "(", "1", ")", "atoms", ".", "There", "are", "four", "shorter", "(", "2", ".", "44", "\u00c5", ")", "and", "four", "longer", "(", "2", ".", "49", "\u00c5", ")", "Bi", "(", "1", ")", "\u2013", "O", "(", "1", ")", "bond", "lengths", ".", "O", "(", "1", ")", "is", "bonded", "in", "a", "distorted", "single", "-", "bond", "geometry", "to", "one", "V", "(", "1", ")", "and", "two", "equivalent", "Bi", "(", "1", ")", "atoms", ".", "[SEP]"], "rationales": [0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "label": "nonmetal"}}