REANN_CO2_Ni100

Name: REANN_CO2_Ni100
Creator: ColabFit
Published: 2024-03-28 20:51:19
License: 暂无描述

DataCite Commons2024-03-28 更新2024-07-13 收录

下载链接：

https://materials.colabfit.org/id/DS_s818rozdb6x6_0

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资源简介：

Approximately 9,850 configurations of CO2 with a movable Ni(100) surface.

提供机构：

ColabFit

创建时间：

2024-03-28

colabfit/REANN_CO2_Ni100

REANN CO2 Ni100数据集包含大约9850种CO2分子在可移动的Ni(100)表面上的配置，数据集列中提供了额外的详细信息。该数据集包含碳、镍和氧三种元素，并提供了能量、原子力和Cauchy应力等属性信息。

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