five

mlearn_Ni_test

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DataCite Commons2024-03-28 更新2024-07-13 收录
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https://materials.colabfit.org/id/DS_zjkz9664bapl_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 Ni configurations
提供机构:
ColabFit
创建时间:
2024-03-28
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