Datasets

As part of LeMaterial, we released and will maintain different datasets, unifying and standardizing data from existing databases:

• LeMat-Bulk: released in December 2024, it unifies data from Materials Project, Alexandria, and OQMD into a high-quality resource with consistent and systematic properties (6,7M entries, 7 material properties)

  • https://huggingface.co/datasets/LeMaterial/LeMat-Bulk

• LeMat-BulkUnique: released in December 2024, this dataset provides de-duplicated material from Materials Project, Alexandria, and OQMD using our structure fingerprint algorithm. It is available in 3 subsets, for PBE, PBESol, and SCAN functionals.

  • https://huggingface.co/datasets/LeMaterial/LeMat-BulkUnique