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.


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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.

Core Developers

National Institute for Materials Science (NIMS)