官方服务:
资源简介:
JARVIS-DFT input/output files
应用场景:
创建时间:
2020-06-23
相关数据集
Materials Data on TmGePd2 by Materials Project
TmPd2Ge is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to eight equiv
DataCite Commons2021-02-04 更新110
20240506_starrydata2
All data on Starrydata2, a database of experimental properties in the field of inorganic materials
Figshare2024-05-05 更新70
20240124_starrydata2
All data on Starrydata2, a database of experimental properties in the field of inorganic materials
Figshare2024-01-23 更新50
Materials Data on NaLaTi8(CuO4)6 by Materials Project
NaLaTi8(CuO4)6 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share faces with eight equi
DataCite Commons2021-02-04 更新70
Materials Data on Mn3VFe2(PO4)6 by Materials Project
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For
DataCite Commons2021-02-04 更新50



