Accelerated identification of equilibrium structures of multicomponent inorganic crystals using machine learning potentials
收藏Figshare2021-07-07 更新2026-04-28 收录
下载链接:
https://figshare.com/articles/dataset/Accelerated_identification_of_equilibrium_structures_of_multicomponent_inorganic_crystals_using_machine_learning_potentials/14910495
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资源简介:
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)
创建时间:
2021-07-07



