Prediction of thermally driven quasi-1D superionic states in carbon hydride under giant planetary conditions

Published February 4, 2026 | Version v1

Dataset Open

convexhull.tar contains all VASP relaxation and phonon data of the C-H compound.
kkr.tar contains an example of how we calculate the electrical and thermal conductivity of an MD snapshot at 1000 GPa and 2000 K.
md.tar contains a DFT-MD simulation of quasi-1d superionic state at 1000 GPa and 2000 K by VASP.
deepmd.tar contains an MLP-MD simulation of a quasi-1d superionic state in a defect cell at 1000 GPa and 2000 K by DeepMD-kit.
magus.tar contains our crystal structure prediction of a C-H compound at 1000, 2000, and 3000 GPa.

Files

Name	Size	Download all
convexhull.tar md5:7a1b06be455bb9ed29788d45d023d6f7	135.3 MB	Download
deepmd.tar md5:e4775a3136e5fb1eb4038a14296ca160	473.5 MB	Download
kkr.tar md5:ce571aec712be841539b57dfb99f2153	73.9 MB	Download
magus.tar md5:b79ddf2ae37ae934f7a8059192b855e5	6.7 MB	Download
md.tar md5:340747c59422891ab61d2aeb29f66c37	373.0 MB	Download