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Dataset · Hugging Face

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. Changelog: 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.

Author / organizationLeMaterial
License (as declared)cc-by-4.0
Downloads6K (as reported by Hugging Face)
Likes30
Created6 December 2024
Last updated at source15 April 2025
chemistry
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