遇见数据集

Accelerated identification of equilibrium structures of multicomponent inorganic crystals using machine learning potentials

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Figshare2021-07-07 更新2026-04-28 收录
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This dataset provide the lowest-energy structures found by SPINNER during crystal structure prediction.Contents:1. crystal structures in VASP input format (POSCAR_composition_id)

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2021-07-07
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