| 公式サイト | https://compes-x.nims.go.jp |
|---|---|
| 公開度 | ★★☆ |
| ライセンス |
Registration and login are required to use the database. National Institute for Materials Science (NIMS) holds the copyright of this database system. Access the URL for terms of use. |
| 開発者 |
National Institute for Materials Science (NIMS) |
CompES-X
CompES-X is a database of electronic structure data. CompES-X is included in the MatNavi materials database provided by NIMS. CompES-X contains results (lattice constants, total energy, band gap, electronic density of states, band structure, charge density, etc.) calculated by the first-principles software VASP on the basis of CIF files contained in AtomWork, , which is a database of inorganic materials. The calculated data are updated each time. The data provided in its previous version of CompES-X, CompES, is also retained. It also includes a link function to AtomWork.