Dataset
JARVIS_2DMatPedia
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| Name | JARVIS_2DMatPedia |
|---|---|
| Extended ID | JARVIS_2DMatPedia__Zhou-Shen-Costa-Persson-Huck-Lu-Ma-Chen-Tang-Feng__DS_hdv6si8yu2mv_0 |
| Description | The JARVIS-2DMatPedia dataset is part of the joint automated repository for various integrated simulations (JARVIS) database. This subset contains configurations with 2D materials from the 2DMatPedia database, generated through two methods: a top-down exfoliation approach, using structures of bulk materials from the Materials Project database; and a bottom-up approach, replacing each element in a 2D material with another from the same group (according to column number). JARVIS is a set of tools and datasets built to meet current materials design challenges. |
| Authors |
Jun Zhou Lei Shen Miguel Dias Costa Kristin A. Persson Shyue Ping Ong", "Patrick Huck Yunhao Lu Xiaoyang Ma Yiming Chen Hanmei Tang Yuan Ping Feng |
| DOI |
10.60732/a2df077f
https://commons.datacite.org/doi.org/10.60732/a2df077f https://doi.datacite.org/dois/10.60732%2Fa2df077f https://doi.org/10.60732/a2df077f Cite as: Zhou, J., Shen, L., Costa, M. D., Persson, K. A., Huck, S. P. O. "., Lu, Y., Ma, X., Chen, Y., Tang, H., and Feng, Y. P. "JARVIS 2DMatPedia." ColabFit, 2023. https://doi.org/10.60732/a2df077f. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress electronic_band_gap energy |
| Elements |
Ac (0.0%) Ag (0.63%) Al (1.02%) As (1.75%) Au (0.42%) B (1.04%) Ba (0.62%) Be (0.34%) Bi (2.35%) Br (4.06%) C (1.43%) Ca (0.71%) Cd (0.37%) Ce (0.14%) Cl (4.91%) Co (0.5%) Cr (0.61%) Cu (0.92%) Dy (0.06%) Er (0.1%) Eu (0.05%) F (6.14%) Fe (0.59%) Ga (0.85%) Gd (0.05%) Ge (1.18%) H (2.0%) Hf (0.26%) Hg (0.52%) Ho (0.08%) I (4.25%) In (0.91%) Ir (0.21%) K (0.31%) La (0.22%) Li (0.96%) Lu (0.08%) Mg (0.98%) Mn (0.6%) Mo (0.59%) N (2.07%) Na (0.34%) Nb (0.82%) Nd (0.11%) Ni (0.45%) Np (0.03%) O (21.12%) Os (0.19%) P (2.65%) Pa (0.02%) Pb (1.15%) Pd (0.36%) Pr (0.07%) Pt (0.3%) Pu (0.02%) Rb (0.2%) Re (0.37%) Rh (0.21%) Ru (0.19%) S (5.41%) Sb (2.17%) Sc (0.34%) Se (4.32%) Si (1.13%) Sm (0.08%) Sn (1.22%) Sr (0.75%) Ta (0.81%) Tb (0.11%) Tc (0.23%) Te (4.62%) Th (0.07%) Ti (0.59%) Tl (1.0%) Tm (0.07%) U (0.19%) V (1.17%) W (0.61%) Xe (0.0%) Y (0.41%) Yb (0.07%) Zn (0.82%) Zr (0.31%) |
| Number of Configurations | 6,351 |
| Number of Atoms | 66,295 |
| Links |
https://ndownloader.figshare.com/files/26789006 https://doi.org/10.1038/s41597-019-0097-3 https://jarvis.nist.gov/ |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Calculated Properties | |
| ColabFit ID | DS_hdv6si8yu2mv_0 |
| Files | colabfitspec.json |
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