Dataset
Materials_Project
Download Dataset XYZ file
| Name | Materials_Project |
|---|---|
| Extended ID | Materials Project_JainOngHautierChenRichardsDacekCholiaGunterSkinnerCederPersson__DS_pv1f3dlo5dsc_0 |
| Description | Configurations from the Materials Project database: an online resource with the goal of computing properties of all inorganic materials. |
| Authors |
Anubhav Jain Shyue Ping Ong Geoffroy Hautier Wei Chen William Davidson Richards Stephen Dacek Shreyas Cholia Dan Gunter David Skinner Gerbrand Ceder Kristin A. Persson |
| DOI |
10.60732/4bf2e346
https://commons.datacite.org/doi.org/10.60732/4bf2e346 https://doi.datacite.org/dois/10.60732%2F4bf2e346 https://doi.org/10.60732/4bf2e346 Cite as: Jain, A., Ong, S. P., Hautier, G., Chen, W., Richards, W. D., Dacek, S., Cholia, S., Gunter, D., Skinner, D., Ceder, G., and Persson, K. A. "Materials Project." ColabFit, 2023. https://doi.org/10.60732/4bf2e346. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Elements |
Co (1.28%) Li (2.83%) Mn (1.54%) O (41.99%) Er (0.17%) Ge (0.57%) Na (2.07%) Cs (0.35%) W (0.36%) Fe (1.6%) N (1.91%) C (1.54%) Mo (0.61%) Si (2.3%) F (3.7%) V (1.17%) P (3.2%) Pb (0.27%) Al (1.02%) Te (0.65%) Cr (0.62%) Sc (0.19%) H (4.56%) Ti (0.65%) Ag (0.34%) La (0.5%) Mg (1.7%) Au (0.17%) Cu (0.71%) Zr (0.29%) Ca (0.71%) Ta (0.33%) Rb (0.43%) S (3.14%) Cl (1.6%) Re (0.15%) U (0.19%) Ba (0.6%) Nb (0.49%) Y (0.32%) Sr (0.57%) Cd (0.25%) Br (0.65%) Se (1.21%) In (0.29%) Sm (0.18%) Bi (0.43%) Ni (0.83%) K (0.85%) Zn (0.67%) I (0.68%) Hg (0.2%) Sn (0.49%) B (1.04%) Ce (0.2%) Th (0.06%) Eu (0.11%) Pt (0.17%) Ga (0.49%) Pd (0.21%) Pr (0.2%) Sb (0.55%) Gd (0.09%) Nd (0.24%) Ir (0.12%) Tl (0.24%) As (0.49%) Ru (0.14%) Yb (0.17%) Rh (0.16%) Lu (0.11%) Hf (0.18%) Dy (0.15%) Tm (0.11%) Pu (0.03%) Tb (0.15%) Tc (0.03%) Be (0.12%) Np (0.02%) Ho (0.15%) Pm (0.01%) Os (0.06%) Ac (0.0%) Pa (0.01%) Xe (0.02%) Kr (0.0%) He (0.0%) Ar (0.0%) Ne (0.0%) |
| Number of Data Objects | 6,342,530 |
| Number of Configurations | 6,342,530 |
| Number of Atoms | 200,016,161 |
| Links |
https://materialsproject.org https://doi.org/10.1063/1.4812323 |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Data Objects | Too many to display |
| ColabFit ID | DS_pv1f3dlo5dsc_0 |
| Files | colabfitspec.json |
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