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2020-10-17
相关数据集
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 LiFe2F5 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
Materials Data on Ce(ZnP)3 by Materials Project
Ce(ZnP)3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce3+ is bonded to six equivalent P3- atoms to form CeP6 octahedra that share corners with six equivalen
DataCite Commons2021-02-04 更新40
Materials Data on Dy2Cu2O5 by Materials Project
Dy2Cu2O5 is Spinel-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is b
Mendeley Data2024-01-31 更新50
Materials Data on ThAl2Ni3 by Materials Project
ThNi3Al2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to twelve equivalent Ni and six equivalent Al atoms. All Th–Ni bo
DataCite Commons2021-02-04 更新40
