five

mlearn_Cu_train

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DataCite Commons2024-03-28 更新2025-04-09 收录
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https://materials.colabfit.org/id/DS_3pv3hck35iy6_0
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资源简介:
A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to span a variety of chemistries (main group metal, transition metal, and semiconductor), crystal structures (bcc, fcc, and diamond) and bonding types (metallic and covalent). This dataset comprises only the Cu configurations
提供机构:
ColabFit
创建时间:
2024-03-28
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