Mg_edmonds_2022

Name: Mg_edmonds_2022
Creator: ColabFit
Published: 2024-03-28T20:39:54+08:00

DataCite Commons2024-03-28 更新2025-04-09 收录

计算材料科学

密度泛函理论

数据链接：

https://materials.colabfit.org/id/DS_caktb6z8yiy7_0 数据链接链接失效反馈

官方服务：

资源简介：

16748 configurations of magnesium with gathered energy, stress and forces at the DFT level of theory.

提供机构：

ColabFit

创建时间：

2024-03-28

Materials Data on Li3V3(PO4)4 by Materials Project

计算材料科学

电池正极材料

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100

JARVIS Materials Project 84K

材料科学

材料设计

The JARVIS_Materials_Project_84K dataset is part of the joint automated repository for various integrated simulations (JARVIS) DFT database. This subset contains 84,000 configurations of 3D materials

materials.colabfit.org90

Materials Data on Li2Mn3NiO8 by Materials Project

计算材料科学

电池材料设计

DataCite Commons2021-02-04 更新30

Materials Data on TaCo2N3 by Materials Project

材料科学

密度泛函理论

DataCite Commons2021-02-04 更新90

Quantum Point Defects in 2D Materials (QPOD) Database

二维材料缺陷计算

密度泛函理论

The database contains structural, thermodynamic, electronic, magneto-optical properties of 500 distinct intrinsic point defects in 2D Materials. The properties are calculated by density functional the

DataCite Commons2023-07-17 更新50

Mg_edmonds_2022

资源简介：

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