Dataset
JARVIS_MEGNet2
Download Dataset XYZ file
| Name | JARVIS_MEGNet2 |
|---|---|
| Extended ID | JARVIS_MEGNet2_ChenYeZuoZhengOng__DS_5ar73nonq6l1_0 |
| Description | The JARVIS-MEGNet2 dataset is part of the joint automated repository for various integrated simulations (JARVIS) database. This subset contains 133K materials with formation energy from the Materials Project, as used in the training of the MEGNet ML model. JARVIS is a set of tools and datasets built to meet current materials design challenges. |
| Authors |
Chi Chen Weike Ye Yunxing Zuo Chen Zheng Shyue Ping Ong |
| DOI |
10.60732/419ba77a
https://commons.datacite.org/doi.org/10.60732/419ba77a https://doi.datacite.org/dois/10.60732%2F419ba77a https://doi.org/10.60732/419ba77a Cite as: Chen, C., Ye, W., Zuo, Y., Zheng, C., and Ong, S. P. "JARVIS MEGNet2." ColabFit, 2023. https://doi.org/10.60732/419ba77a. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Elements |
Al (1.23%) Ge (0.76%) Li (2.9%) O (35.73%) Cu (0.97%) F (3.83%) Ga (0.6%) Na (1.17%) Au (0.21%) Lu (0.16%) Mo (0.66%) Rb (0.49%) B (1.51%) Dy (0.22%) N (2.21%) U (0.24%) Mg (2.61%) V (0.95%) Zn (0.7%) Cl (1.74%) Ag (0.37%) S (2.98%) Fe (1.59%) Sr (0.65%) Br (0.72%) Tl (0.26%) Eu (0.15%) In (0.4%) Ni (1.02%) As (0.55%) K (0.93%) Pt (0.24%) Yb (0.21%) Co (1.15%) Mn (1.34%) I (0.75%) Pb (0.33%) Cs (0.39%) Se (1.43%) H (5.92%) Y (0.4%) Ti (0.71%) Nb (0.47%) Sc (0.22%) Ir (0.18%) Si (1.86%) C (2.32%) Ca (0.77%) Ho (0.22%) Sn (0.63%) Cd (0.37%) Tm (0.16%) Rh (0.27%) Te (0.68%) W (0.41%) Sb (0.63%) P (2.79%) La (0.56%) Xe (0.02%) Bi (0.57%) Cr (0.59%) Zr (0.36%) Nd (0.32%) Ba (0.79%) Ta (0.3%) Pm (0.02%) Er (0.23%) Sm (0.26%) Ce (0.32%) Ru (0.22%) Be (0.17%) Np (0.03%) Os (0.11%) Hf (0.19%) Re (0.17%) Pd (0.31%) Tb (0.21%) Pr (0.29%) Gd (0.14%) Hg (0.27%) Pa (0.01%) Pu (0.04%) Ac (0.02%) Th (0.09%) Tc (0.04%) Kr (0.0%) Ar (0.0%) He (0.0%) Ne (0.0%) |
| Number of Data Objects | 133,420 |
| Number of Configurations | 133,420 |
| Number of Atoms | 3,880,497 |
| Links |
https://ndownloader.figshare.com/files/28332741 https://doi.org/10.1021/acs.chemmater.9b01294 https://jarvis.nist.gov/ |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Data Objects | Too many to display |
| ColabFit ID | DS_5ar73nonq6l1_0 |
| Files | colabfitspec.json |
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