LeMaterial/

LeMat-Bulk

Motivation: check out the blog post https://huggingface.co/blog/lematerial to hear more about the motivation behind the creation of this dataset.

2025.04.17 (hash: NOT YET RELEASED):

We have changed the Yb default pseudopotential to Yb_3 from VASP, this is the same that Materials Project uses. In the previous version we had kept it as Yb, and Materials Project had to Yb-containing materials. Alexandria and OQMD uses Yb. As a result no Yb-containing materials are… See the full description on the dataset page: https://huggingface.co/datasets/LeMaterial/LeMat-Bulk.