官方服务：
资源简介：
JARVIS-DFT
应用场景：
创建时间：
2020-08-14
相关数据集
Materials Data on TaCo2N3 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90
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 CoPt2 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60
JARVIS-DFT-DFPT (JVASP-52662 to JVASP-84830)
DFPT input/output files for JARVIS-DFT data.
Figshare2020-06-08 更新60
