TdS-PdV Atari5200

Approximately 45,000 configurations of metal oxides of Mg, Ag, Pt, Cu and Zn, with initial training structures taken from the Materials Project database.本数据集包含约45,000种由Mg、Ag、Pt、Cu和Zn金属氧化物构成的配置，其初始训练结构源自材料项目数据库。