Statistical Proxy Potentials
收藏DataCite Commons2024-03-27 更新2024-07-13 收录
下载链接：
https://datacat.liverpool.ac.uk/id/eprint/1730
下载链接
链接失效反馈官方服务：
资源简介：
The Inorganic Crystal Structure Database (ICSD) contains the experimentally reported crystal structures for over 200,000 materials. We used these structures to collect the statistical data for the observed interatomic distances. Partial radial distribution functions were compiled for the 3,388 atomic pairs reported in ICSD to co-exist in a material. These data were then used to extract the effective interatomic interactions for each pair of elements.
提供机构：
University of Liverpool
创建时间：
2024-03-26
