Dataset · Hugging Face

OneScience-Group/mp20

Name: mp20
Creator: OneScience-Group
License: cc-by-4.0
Keywords: language:en, language:zh, license:cc-by-4.0, region:us, MP-20, Materials Project, crystal structure, inorganic materials, CIF, materials generation

MP-20 Dataset Description MP-20 is derived from the Materials Project database (Jain et al., 2013) and contains approximately 45,000 common inorganic materials. It covers most experimentally known materials with no more than 20 atoms in the unit cell. The data includes elemental compositions, CIF structures, space groups, formation energies per atom, DFT band gaps, bulk moduli, and magnetic densities. Source paper: A. Jain et al., Commentary: The Materials Project:… See the full description on the dataset page: https://huggingface.co/datasets/OneScience-Group/mp20.

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Author / organization	OneScience-Group
License (as declared)	cc-by-4.0
Downloads	148 (as reported by Hugging Face)
Likes	0
Created	29 July 2026
Last updated at source	17 August 2026

MP-20Materials Projectcrystal structureinorganic materialsCIFmaterials generation

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