ohlstrom/Crystallography-Open-Database-XRD-Patterns

Crystallography Open Database — Synthetic XRD Patterns 436,196 synthetic powder X-ray diffraction (XRD) patterns generated from every CIF file in the Crystallography Open Database (COD). What's in the dataset Each pattern is a simulated powder diffractogram computed from a published crystal structure. The dataset covers the full chemical and structural diversity of COD: metals, minerals, organics, MOFs, and everything in between. No measured (experimental)… See the full description on the dataset page: https://huggingface.co/datasets/ohlstrom/Crystallography-Open-Database-XRD-Patterns.