youssefsassi/grandpa-pbe-hull-structures-20261001
GrandPA PBE Full Reference Structures This is the full reconstructed PBE reference set: 5,045,050 rows. It is not a hull-only export. The 125,650 hull vertices are marked by is_on_hull=True within the full set. The full universe combines Alexandria PBE and Materials Project PBE entries. It excludes OQMD and contains 4,865,735 Alexandria rows and 179,315 MP rows. The hull energies were calculated across this same combined full universe, including subsystem competitors.… See the full description on the dataset page: https://huggingface.co/datasets/youssefsassi/grandpa-pbe-hull-structures-2026100
| Author / organization | youssefsassi |
|---|---|
| Downloads | 290 (as reported by Hugging Face) |
| Likes | 0 |
| Created | 1 October 2026 |
| Last updated at source | 1 October 2026 |
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