Dataset · Hugging Face

ohlstrom/Crystallography-Open-Database-XRD-Patterns

Name: Crystallography-Open-Database-XRD-Patterns
Creator: ohlstrom
License: cc0-1.0
Keywords: task_categories:other, license:cc0-1.0, size_categories:100K<n<1M, region:us, chemistry, crystallography, xrd, materials-science

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) patterns are… See the full description on the dataset page: https://huggingface.co/datasets/ohlstrom/Crystallography-Open-Database-XRD-Patt

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Author / organization	ohlstrom
License (as declared)	cc0-1.0
Downloads	221 (as reported by Hugging Face)
Likes	0
Created	1 February 2026
Last updated at source	20 February 2026

chemistrycrystallographyxrdmaterials-science

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