Published July 30, 2020
| Version v1
Dataset
Open
Vasp calculation and local structures of NdFeB substituted structures
Authors/Creators
- 1. Japan Advanced Institute of Science and Technology
Description
This dataset summary Density Functional Theory calculations using VASP[1] with Nd-Fe-B substituted structures. The source calculated VASP results are found in [2]. In addition, the dataset includes local structures extracted from the Nd-Fe-B substituted structures and Nd-Fe-B structures collected from OQMD that used to create tSNE maps of local structures.
[1] VASP: Vienna Ab initio Simulation Package: https://www.vasp.at/
[2] VASP calculation of Nd-Fe-B at NOMAD repository: https://dx.doi.org/10.17172/NOMAD/2020.07.30-1
[3] OQMD: Open Quantum Materials Database: http://www.oqmd.org/
Files
NdFeB_0716reproduce___ofm1_no_d_with_ene_coarse.csv
Files
(34.2 MB)
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Additional details
Related works
- Is derived from
- 10.17172/NOMAD/2020.07.30-1 (DOI)