colabfit/MoNbTaVW_PRB2021
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/MoNbTaVW_PRB2021
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资源简介：
MoNbTaVW PRB2021数据集是为了拟合Mo-Nb-Ta-V-W五元系统的GAP模型而创建的，用于研究体心立方难熔高熵合金MoNbTaVW中的偏析和缺陷。数据集包含了2329个唯一的分子配置，共计127913个原子，涵盖了Mo、Nb、Ta、V、W五种元素。数据集中的属性包括原子能量、原子力和柯西应力。
The MoNbTaVW PRB2021 dataset was designed to fit a GAP model for the Mo-Nb-Ta-V-W quinary system, used to study segregation and defects in the body-centered-cubic refractory high-entropy alloy MoNbTaVW. The dataset contains 2329 unique molecular configurations, totaling 127913 atoms, and includes the elements Mo, Nb, Ta, V, W. Properties in the dataset include atomic energy, atomic forces, and Cauchy stress.
提供机构：
colabfit
