Published September 15, 2021
| Version v2.0
Software
Open
peikai/IEIs: Release 2.0
Creators
- 1. Frontier Institute of Science and Technology, Xi'an Jiaotong University; Department of Materials Science and Engineering and Department of Nuclear Science and Engineering, Massachusetts Institute of Technology
Description
As new database (v2021.05.13) of Materials Project released, formation energies of materials have obvious changes, especially on oxygen compounds, diatomic gases, and transition metal oxides and fluorides, as they claimed, and many new materials were introduced. There should be new phases having a tieline with LiBCC/NaBCC/KBCC in up-to-date phase diagrams, so I tuned codes to make it compatible with pymatgen v2022, then updated the screening lists, including the list of phases that have thermodynamically stability against LiBCC/NaBCC/KBCC and lists of LEI/NEI/KEI candidates.
Files
peikai/IEIs-v2.0.zip
Files
(6.4 MB)
| Name | Size | Download all |
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md5:24f43a4028308abb83834fed8f6c881a
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6.4 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/peikai/IEIs/tree/v2.0 (URL)