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.