colabfit/In2Se3_2D_DPGEN
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/In2Se3_2D_DPGEN
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资源简介：
In2Se3 2D DPGEN数据集包含了大约11500个In2Se3的配置，包括单层（20个原子的片层）和块状（30个原子的超晶胞）模型。数据集中的额外细节存储在以"dataset_"为前缀的列中。该数据集包含In和Se两种元素，并提供了能量、原子力和柯西应力等属性。
The In2Se3 2D DPGEN dataset contains approximately 11,500 configurations of In2Se3, including monolayer (20-atom slab) and bulk (30-atom supercell) models. Additional details are stored in dataset columns prepended with "dataset_". The dataset includes the elements In and Se, and properties such as energy, atomic forces, and Cauchy stress.
提供机构：
colabfit
