Quantum-Chemical Bonding Database (Unprocessed data : Part 7)

This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication. Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project ID)本数据集随我们的学术论文《固态材料量子化学键合数据库》（A Quantum-Chemical Bonding Database for Solid-State Materials）一同发布。关于数据生成、验证及元数据描述的详细内容，均可在该论文中查阅。请查阅mpids.txt文件，以了解tar压缩包中包含的化合物相关数据。（其中mp-xxx指材料项目ID（Materials Project ID））