Lattice energies and relaxed geometries for 2'707 organic molecular crystals ...
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This data record contains the xyz-style files for 2'707 organic molecular crystals and their 3'202 molecular components. The crystals were initially taken directly from the...
本数据集收录了2707个有机分子晶体及其3202个分子组分的XYZ格式文件（xyz-style files）。该类晶体最初直接取自……
