MilesZhao/PGCGM
Source code for generating materials with 20 space groups using PGCGM
This tool helps materials scientists and researchers design new crystal structures. You provide certain physical guidelines, and it generates potential crystal materials with high symmetry constraints, outputting CIF files (Crystallographic Information File) that can be used for further analysis or simulation. It's for anyone needing to explore novel material compositions with specific structural properties.
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Use this if you are a materials scientist or crystallographer looking to generate new crystal structures with specific symmetry constraints for research and development.
Not ideal if you need to analyze existing crystal structures or perform simulations, as this tool focuses solely on generating new ones.
Stars
34
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7
Language
Python
License
MIT
Category
Last pushed
Dec 15, 2022
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0
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