Dataset
datasets_for_magnetic_MTP_NatSR2024_verification
Species content of dataset
Dataset viewer powered by Hugging Face
| Name | datasets_for_magnetic_MTP_NatSR2024_verification |
|---|---|
| Extended ID | datasets_for_magnetic_MTP_NatSR2024_verification__Kotykhov-Gubaev-Hodapp-Tantardini-Shapeev-Novikov__DS_wu6xd9i8cf7i_0 |
| Description | This is the verification dataset (see companion training dataset: datasets_for_magnetic_MTP_NatSR2024_training) used in training a magnetic multi-component machine-learning potential for Fe-Al systems. The configurations from the verification set include different levels of magnetic moment perturbation than configurations from the training set. For this reason, the authors refer to this dataset as a "verification set", rather than a "validation set". |
| Authors |
Alexey S. Kotykhov Konstantin Gubaev Max Hodapp Christian Tantardini Alexander V. Shapeev Ivan S. Novikov |
| DOI |
10.60732/acd42be9
https://commons.datacite.org/doi.org/10.60732/acd42be9 https://doi.datacite.org/dois/10.60732%2Facd42be9 https://doi.org/10.60732/acd42be9 Cite as: Kotykhov, A. S., Gubaev, K., Hodapp, M., Tantardini, C., Shapeev, A. V., and Novikov, I. S. "datasets for magnetic MTP NatSR2024 verification." ColabFit, 2024. https://doi.org/10.60732/acd42be9. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Al (28.27%)
Fe (71.73%) |
| Number of Configurations | 210 |
| Number of Atoms | 3,360 |
| Publication Link | https://doi.org/10.1038/s41598-023-46951-x |
| Data Source Link | https://gitlab.com/ivannovikov/datasets_for_magnetic_MTP |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_wu6xd9i8cf7i_0 |
| Downloads | 6 |
| Files | colabfitspec.json |
No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.