官方服务:
资源简介:
JARVIS-DFT
应用场景:
创建时间:
2020-07-23
相关数据集
Materials Data on Na(RuO2)2 by Materials Project
NaRu2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances r
DataCite Commons2021-02-04 更新70
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 K2Pd(CO3)4 by Materials Project
K2Pd(CO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances rang
DataCite Commons2021-02-04 更新50
Density Functional Theory Calculations of Segregation Tendency of Alloying Elements in Al3Zr and Al3Sc Dispersoid Particles
Results and analysis of density functional theory calculations for publication: Stability and stoichiometry of L12 Al3(Sc,Zr) dispersoids in Al-(Si)-Sc-Zr alloys
NIAID Data Ecosystem70
Materials Data on ZrP2O9 by Materials Project
(Zr(PO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Zr(PO4)2 sheets oriented in the (0, 0, 1) direction. In e
DataCite Commons2021-02-04 更新60



