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JARVIS-DFT
JARVIS-DFT数据集
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2020-07-17
相关数据集
Materials Data on NaFeAs by Materials Project
NaFeAs crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NaFeAs sheets oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted see-saw-
Mendeley Data2024-01-31 更新100
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
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
Materials Data on CeNdAl2O6 by Materials Project
NdCeAl2O6 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Nd3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Nd–O bond distances r
DataCite Commons2021-02-04 更新80
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
