Accelerated identification of equilibrium structures of multicomponent inorganic crystals using machine learning potentials
收藏DataCite Commons2021-07-14 更新2024-07-28 收录
下载链接：
https://figshare.com/articles/dataset/Accelerated_identification_of_equilibrium_structures_of_multicomponent_inorganic_crystals_using_machine_learning_potentials/14910495/2
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资源简介：
This dataset provide the lowest-energy structures found by SPINNER during crystal structure prediction.<br>Contents:1. crystal structures in VASP input format (POSCAR_composition_id)
提供机构：
figshare
创建时间：
2021-07-05
