CrystalPrototypeDesigner
收藏DataCite Commons2025-03-17 更新2025-04-16 收录
下载链接：
https://aist.repo.nii.ac.jp/records/2003344
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资源简介：
Open source package for exploring crystal structures. The package includes the source files, Makefile, and the manual. This software generate crystal structure prototypes from chemical composition by exhaustively searching the huge coordination space. This algorithm is based on the mathematical programming model that formalizes the empirical rules of inorganic structural chemistry.
提供机构：
産業技術総合研究所
创建时间：
2025-03-17
