Dataset
Matbench_mp_e_form
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| Name | Matbench_mp_e_form |
|---|---|
| Extended ID | Matbench_mp_e_form_DunnWangGanoseDoppJain__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. |
| Elements |
Bi (0.57%) Mg (2.62%) O (35.82%) Rb (0.49%) In (0.4%) Sn (0.63%) C (2.32%) Fe (1.59%) K (0.93%) N (2.21%) F (3.66%) Mn (1.34%) Ca (0.77%) S (2.99%) Lu (0.16%) Re (0.16%) Co (1.15%) Cu (0.97%) Zn (0.7%) Rh (0.27%) Si (1.87%) Sm (0.26%) Dy (0.22%) Cl (1.75%) H (5.93%) Mo (0.66%) Ni (1.02%) Ge (0.77%) Na (1.17%) V (0.95%) Al (1.23%) As (0.55%) Sr (0.65%) Ga (0.6%) Y (0.4%) Li (2.91%) Ti (0.71%) Ta (0.29%) U (0.24%) Nb (0.47%) Se (1.44%) P (2.79%) I (0.75%) Cs (0.4%) Tm (0.16%) W (0.41%) Zr (0.36%) Ba (0.79%) Ru (0.22%) Ce (0.32%) Tl (0.26%) Ir (0.18%) Yb (0.21%) Pb (0.33%) Sb (0.63%) B (1.52%) Hf (0.19%) Cd (0.37%) Pd (0.31%) Sc (0.22%) Ag (0.37%) La (0.56%) Nd (0.32%) Au (0.21%) Ho (0.22%) Er (0.23%) Be (0.17%) Pr (0.29%) Br (0.72%) Te (0.69%) Pm (0.02%) Cr (0.59%) Pt (0.24%) Tb (0.21%) Tc (0.04%) Gd (0.14%) Hg (0.27%) Np (0.03%) Th (0.09%) Os (0.1%) Ac (0.02%) Eu (0.15%) Pu (0.04%) Pa (0.01%) |
| Number of Data Objects | 132,752 |
| Number of Configurations | 132,752 |
| Number of Atoms | 3,869,658 |
| Links |
https://matbench.materialsproject.org/ https://doi.org/10.1038/s41524-020-00406-3 https://doi.org/10.1016/j.commatsci.2014.10.037 |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Data Objects | Too many to display |
| ColabFit ID | DS_5drebe4tktiu_0 |
| Files | colabfitspec.json |
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