Dataset
Matbench_mp_e_form
Species content of dataset
Dataset viewer powered by Hugging Face
| Name | Matbench_mp_e_form |
|---|---|
| Extended ID | Matbench_mp_e_form__Dunn-Wang-Ganose-Dopp-Jain__DS_5drebe4tktiu_0 |
| Description | Matbench v0.1 test dataset for predicting DFT formation energy from structure. Adapted from Materials Project database. Entries having formation energy more than 2.5eV and those containing noble gases are removed. Retrieved April 2, 2019. For benchmarking w/ nested cross validation, the order of the dataset must be identical to the retrieved data; refer to the Automatminer/Matbench publication for more details.Matbench is an automated leaderboard for benchmarking state of the art ML algorithms predicting a diverse range of solid materials' properties. It is hosted and maintained by the Materials Project. |
| Authors |
Alexander Dunn Qi Wang Alex Ganose Daniel Dopp Anubhav Jain |
| DOI |
10.60732/3cef7b09
https://commons.datacite.org/doi.org/10.60732/3cef7b09 https://doi.datacite.org/dois/10.60732%2F3cef7b09 https://doi.org/10.60732/3cef7b09 Cite as: Dunn, A., Wang, Q., Ganose, A., Dopp, D., and Jain, A. "Matbench mp e form." ColabFit, 2024. https://doi.org/10.60732/3cef7b09. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
cauchy_stress formation_energy |
| Elements |
Ac (0.02%)
Ag (0.37%) Al (1.23%) As (0.55%) Au (0.21%) B (1.51%) Ba (0.79%) Be (0.17%) Bi (0.57%) Br (0.72%) C (2.32%) Ca (0.77%) Cd (0.37%) Ce (0.32%) Cl (1.75%) Co (1.15%) Cr (0.59%) Cs (0.4%) Cu (0.97%) Dy (0.22%) Er (0.23%) Eu (0.15%) F (3.66%) Fe (1.59%) Ga (0.6%) Gd (0.14%) Ge (0.77%) H (5.93%) Hf (0.19%) Hg (0.27%) Ho (0.22%) I (0.75%) In (0.4%) Ir (0.18%) K (0.93%) La (0.56%) Li (2.91%) Lu (0.16%) Mg (2.62%) Mn (1.34%) Mo (0.66%) N (2.21%) Na (1.17%) Nb (0.47%) Nd (0.32%) Ni (1.02%) Np (0.03%) O (35.82%) Os (0.1%) P (2.79%) Pa (0.01%) Pb (0.33%) Pd (0.31%) Pm (0.02%) Pr (0.29%) Pt (0.24%) Pu (0.04%) Rb (0.49%) Re (0.16%) Rh (0.27%) Ru (0.22%) S (2.99%) Sb (0.63%) Sc (0.22%) Se (1.44%) Si (1.87%) Sm (0.26%) Sn (0.63%) Sr (0.65%) Ta (0.29%) Tb (0.21%) Tc (0.04%) Te (0.69%) Th (0.09%) Ti (0.71%) Tl (0.26%) Tm (0.16%) U (0.24%) V (0.95%) W (0.41%) Y (0.4%) Yb (0.21%) Zn (0.7%) Zr (0.36%) |
| Number of Configurations | 132,741 |
| Number of Atoms | 3,869,238 |
| Publication Link | https://doi.org/10.1038/s41524-020-00406-3 |
| Data Source Link | https://matbench.materialsproject.org/ |
| Other Links |
https://doi.org/10.1016/j.commatsci.2014.10.037 |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_5drebe4tktiu_0 |
| Downloads | 76 |
| 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.