five

Materials Project / ICSD average volumes of structures by chemical environments

收藏
DataCite Commons2024-10-09 更新2024-11-06 收录
下载链接:
https://figshare.com/articles/dataset/Materials_Project_ICSD_average_volumes_of_structures_by_chemical_environments/27190857
下载链接
链接失效反馈
官方服务:
资源简介:
This dataset supports calculations in the atomate2 workflow orchestration library. The dataset contains average volumes/atom of structures in the Materials Project and ICSD, organized by chemical system (the elements present in a given structure).This data is used to generate amorphous structures with realistic volumes prior to equilibration with DFT, machine-learned forcefields, etc.
提供机构:
figshare
创建时间:
2024-10-08
5,000+
优质数据集
54 个
任务类型
进入经典数据集
二维码
社区交流群

面向社区/商业的数据集话题

二维码
科研交流群

面向高校/科研机构的开源数据集话题

数据驱动未来

携手共赢发展

商业合作