colabfit/Ta_PRM2019
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/Ta_PRM2019
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资源简介：
Ta PRM2019数据集旨在用于机器学习Ta的弹性、热、缺陷性质，以及表面能、熔化和液相结构。该数据集是在J. Byggmästar等人(Phys. Rev. B 100, 144105 (2019))的原始数据集基础上构建的，对所有的配置进行了正确的晶格间距缩放，并添加了gamma表面配置。数据集中的额外细节存储在以"dataset_"为前缀的列中。
The Ta PRM2019 dataset is designed for machine-learning of Ta elastic, thermal, and defect properties, as well as surface energetics, melting, and the structure of the liquid phase. The dataset is constructed based on the original dataset by J. Byggmästar et al. (Phys. Rev. B 100, 144105 (2019)), with all configurations rescaled to the correct lattice spacing and gamma surface configurations added. Additional details are stored in columns prefixed with "dataset_".
提供机构：
colabfit
