Materials Project

Dataset Materials project (2019 dump) This dataset contains 133420 materials with formation energy per atom. Processed from mp.2019.04.01.json Download Download link: materials-project.tar.gz MD5 checksum c132f3781f32cd17f3a92aa6501b9531 Content Bundled in materials-project.tar.gz. Index (index.json) list of dict: index (int) => index of the structure in data file. id (str) => id of Materials Project. formula (str) => formula. natoms (int) => number… See the full description on the dataset page: https://huggingface.co/datasets/materials-toolkits/materials-project.

Papers using Materials Project (4)

Artificial Intelligence in Accelerating Materials Discovery: Opportunities and Challenges2026 · 2 citesAdaptive Slater Koster Parameters: Crossing Oxidation States with Density Functional Tight Binding2026Graphlet Histogram Representation Database of Inorganic Crystals2026AI-Driven Discovery of New Materials: Breaking Data Bottlenecks and Transforming Research Paradigms2026