CrystDB is a comprehensive crystal structure database that includes all thermodynamically stable structures from the Materials Project (MP-2024.1), covering data released up to January 2024 (
https://next-gen.materialsproject.org/materials-database). It is designed to support the development of XRD-based crystal structure identification, crystal property prediction (CPP), and crystal structure prediction (CSP).
This database is freely accessible and is maintained by Mr. Bin… See the full description on the dataset page:
https://huggingface.co/datasets/caobin/CrystDB.
