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JARVIS-DFT input/output files
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创建时间：
2020-06-20
相关数据集
Materials Data on Na6WN4 by Materials Project
Na6WN4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry
DataCite Commons2021-02-04 更新120
Materials Data on LiVPO5 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
Materials Data on Nb4P2S21 by Materials Project
Nb4P2S21 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two Nb4P2S21 sheets oriented in the (1, 0, 0) direction. there are four inequivalent Nb5+ sites
DataCite Commons2021-02-04 更新60
Materials Data on Mg2Si4O11 by Materials Project
Mg2Si4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a see-saw-like geometry to fou
DataCite Commons2021-02-04 更新60
Materials Data on La2Ta2O9 by Materials Project
La2Ta2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances rangi
DataCite Commons2021-02-05 更新60
