JARVIS-ML-CFID-MP

Figshare2021-03-12 更新2026-04-08 收录

计算材料学

材料性能预测

数据链接：

https://figshare.com/articles/dataset/JARVIS-ML-CFID-MP/13054247/2 数据链接链接失效反馈

官方服务：

资源简介：

CFID descriptors and target properties for 83K materials in the materials project database.

创建时间：

2021-03-12

Materials Data on NaAsO6 by Materials Project

晶体结构表征

计算材料学

NaAsO6 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one NaAsO6 sheet oriented in the (1, 0, 0) direction. Na is bonded to five O atoms to form corn

DataCite Commons2021-02-04 更新90

Materials Data on Li3MnV(PO4)3 by Materials Project

计算材料学

电池材料设计

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 Commons2021-02-05 更新80

Materials Data on Cs2EuCuCl6 by Materials Project

计算材料学

化学结构预测

DataCite Commons2021-02-04 更新40

Materials Data on Na3Ni2P2(CO7)2 by Materials Project

计算材料学

化学结构预测

DataCite Commons2021-02-04 更新90

Materials Data on PuH3 by Materials Project

晶体结构表征

计算材料学

PuH3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are

DataCite Commons2023-01-12 更新70

JARVIS-ML-CFID-MP

资源简介：

相关数据集