Cubic materials from Wikipedia
收藏DataCite Commons2024-11-24 更新2025-01-06 收录
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https://figshare.com/articles/dataset/Cubic_materials_from_Wikipedia/27897255
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资源简介：
Cubic materials from Wikipedia with all lattice parameters 5 to check if MLFFs can predict reasonable lattice constants<br>import pandas as pddata = pd.read_html("http://en.wikipedia.org/wiki/Lattice_constant")[0]data = data[ ~data["Crystal structure"].isin( [ "Hexagonal", "Wurtzite", "Wurtzite (HCP)", "Orthorhombic", "Tetragonal perovskite", "Orthorhombic perovskite", ] )]data.rename(columns={"Lattice constant (Å)": "a (Å)"}, inplace=True)<br>data["a (Å)"] = data["a (Å)"].map(float)<br>
提供机构：
figshare
创建时间：
2024-11-24
