Dataset · Hugging Face

kazeevn/LeMat-Bulk-fixed

Name: LeMat-Bulk-fixed
Creator: kazeevn
License: cc-by-4.0
Keywords: license:cc-by-4.0, size_categories:1M<n<10M, format:parquet, modality:tabular, modality:text, library:datasets, library:dask, library:polars, library:mlcroissant, region:us, chemistry, materials, dft

LeMat-Bulk, compatible_pbe, with stale Materials Project energies fixed This is LeMaterial/LeMat-Bulk compatible_pbe at revision 0dc17eea904b860ad7288141e9870f67f8e6bb2c, with the Materials Project (MP) rows re-checked against MP's current task database, a few broken records removed, and the forces and stress that upstream left empty filled in. The schema, column order and shard layout are unchanged. Every row not listed in the audit is identical to upstream. Only compatible_pbe… See the full description on the dataset page: https://huggingface.co/datasets/kazeevn/LeMat-Bulk-fixed.

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Author / organization	kazeevn
License (as declared)	cc-by-4.0
Downloads	162 (as reported by Hugging Face)
Likes	0
Created	13 October 2026
Last updated at source	14 October 2026

chemistrymaterialsdft

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