colabfit/Materials_Project
收藏Hugging Face2025-10-17 更新2025-10-25 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/Materials_Project
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资源简介：
Materials Project 数据集包含了来自Materials Project数据库的配置信息，该数据库的目的是计算所有无机材料的属性。数据集包含了6125462种独特的分子配置和194446050个原子。包含的元素有Ac, Ag, Al等。数据集中的性质包括能量、原子力、电子带隙和Cauchy应力。
The Materials Project dataset includes configurations from the Materials Project database, an online resource aimed at computing properties of all inorganic materials. The dataset contains 6125462 unique molecular configurations and 194446050 atoms. Elements included are Ac, Ag, Al, among others. Properties included in the dataset are energy, atomic forces, electronic band gap, and Cauchy stress.
提供机构：
colabfit
