Data from global structure search of sulfur clusters
收藏Figshare2015-10-23 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Data_from_global_structure_search_of_sulfur_clusters/1513833
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资源简介：
Raw data (structures and energies) from global structure search of sulfur clusters. The search was carried out using an evolutionary algorithm as implemented in the USPEX code, with VASP as the calculator and energies within density-functional theory with the PBE exchange-correlation functional as the fitness criteria. This is supporting data for a study of the free energy of mixed sulfur vapours.
创建时间：
2015-10-23
