materials
Subsampled Alexandria
Schmidt, Marques et al. (Alexandria) / FAIR-Chem (subsample) · 2024
Constitution
| Full name | Subsampled Alexandria |
| Curator | Schmidt, Marques et al. (Alexandria) / FAIR-Chem (subsample) |
| Size | ~4.2M inorganic structures, subsampled from the Alexandria database |
| DFT level | PBE; some PBE+U; VASP |
| Released | 2024 |
| License | CC-BY 4.0 |
| DOI | https://doi.org/10.1002/adma.202210788 |
| Primary paper | Schmidt et al., Machine-Learning-Assisted Determination of the Global Zero-Temperature Phase Diagram of Materials, Adv. Mater. (2023). |
Models trained on sAlex
| Model |
|---|
| EquiformerV2 |