Dataset · Hugging Face

c-bone/mp_20_pxrd

Name: mp_20_pxrd
Creator: c-bone
License: cc-by-4.0
Keywords: language:en, license:cc-by-4.0, size_categories:10K<n<100K, format:parquet, modality:text, library:datasets, library:pandas, library:polars, library:mlcroissant, arxiv:2511.21299, region:us, materials-science, crystallography, cif

Dataset Card for MP-20 XRD MP-20 crystal structures paired with up to 20 of their most intense simulated XRD peaks. Dataset Details Curated by: Bone et al. (University College London) Source data: MP-20 (Materials Project) Used to train: c-bone/CrystaLLM-pi_mp_20_base Paper: Discovery and recovery of crystalline materials with property-conditioned transformers (arXiv:2511.21299) Repository: GitHub: CrystaLLM-pi License: CC BY 4.0, following the source data… See the full description on the dataset page: https://huggingface.co/datasets/c-bone/mp_20_pxrd.

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Author / organization	c-bone
License (as declared)	cc-by-4.0
Downloads	199 (as reported by Hugging Face)
Likes	0
Created	8 September 2026
Last updated at source	29 September 2026

materials-sciencecrystallographycif

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