Dataset

JARVIS_C2DB


Download Dataset XYZ file

Name JARVIS_C2DB
Extended ID JARVIS-C2DB_HaastrupStrangePandeyDeilmannSchmidtHinscheGjerdingTorelliLarsenRiis-JensenGathJacobsenMortensenOlsenThygesen__DS_8hgxhsfkcfa7_0
Description The JARVIS-C2DB dataset is part of the joint automated repository for various integrated simulations (JARVIS) database. This subset contains configurations from the Computational 2D Database (C2DB), which contains a variety of properties for 2-dimensional materials across more than 30 differentcrystal structures. JARVIS is a set of tools and datasets built to meet current materials design challenges.
Authors Sten Haastrup
Mikkel Strange
Mohnish Pandey
Thorsten Deilmann
Per S Schmidt
Nicki F Hinsche
Morten N Gjerding
Daniele Torelli
Peter M Larsen
Anders C Riis-Jensen
Jakob Gath
Karsten W Jacobsen
Jens Jørgen Mortensen
Thomas Olsen
Kristian S Thygesen
DOI 10.60732/37c26dae
https://commons.datacite.org/doi.org/10.60732/37c26dae
https://doi.datacite.org/dois/10.60732%2F37c26dae
https://doi.org/10.60732/37c26dae

Cite as: Haastrup, S., Strange, M., Pandey, M., Deilmann, T., Schmidt, P. S., Hinsche, N. F., Gjerding, M. N., Torelli, D., Larsen, P. M., Riis-Jensen, A. C., Gath, J., Jacobsen, K. W., Mortensen, J. J., Olsen, T., and Thygesen, K. S. "JARVIS C2DB." ColabFit, 2023. https://doi.org/10.60732/37c26dae.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements Te (6.99%)
Ti (1.88%)
Ag (0.86%)
Ca (0.38%)
I (6.78%)
S (8.48%)
C (2.03%)
H (1.83%)
O (6.34%)
W (1.65%)
In (0.67%)
Br (6.81%)
Cr (1.18%)
N (2.77%)
F (2.56%)
Mg (0.1%)
Al (0.49%)
Pd (0.83%)
Ni (1.13%)
Se (8.35%)
Zr (2.05%)
Co (0.88%)
Cl (6.7%)
Cs (0.04%)
P (1.28%)
Hf (1.73%)
Zn (0.3%)
Sr (0.37%)
Y (0.62%)
V (1.38%)
As (0.77%)
Ir (0.86%)
Rh (0.82%)
Ta (1.37%)
Bi (1.31%)
Mn (0.86%)
Mo (1.62%)
Pt (0.97%)
Nb (1.38%)
Sb (1.16%)
Hg (0.46%)
Ge (0.7%)
Sc (1.12%)
Cu (0.94%)
B (0.36%)
Sn (0.7%)
Au (0.84%)
Pb (0.77%)
Ru (0.75%)
Si (0.34%)
Fe (0.77%)
Ga (0.58%)
Re (0.67%)
Tl (0.53%)
Os (0.74%)
K (0.07%)
Li (0.42%)
Rb (0.07%)
Cd (0.33%)
Ba (0.09%)
Na (0.12%)
Number of Data Objects 3,520
Number of Configurations 3,520
Number of Atoms 17,990
Links https://ndownloader.figshare.com/files/28682010
https://doi.org/10.1088/2053-1583/aacfc1
https://jarvis.nist.gov/
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_8hgxhsfkcfa7_0
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.