Dataset

JARVIS_Materials_Project_84K



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Name JARVIS_Materials_Project_84K
Extended ID JARVIS_Materials_Project_84K_JainOngHautierChenRichardsDacekCholiaGunterSkinnerCederPersson__DS_1s8172fnm2ct_0
Description The JARVIS_Materials_Project_84K dataset is part of the joint automated repository for various integrated simulations (JARVIS) DFT database. This subset contains 84,000 configurations of 3D materials from the Materials Project database. JARVIS is a set of tools and datasets built to meet current materials design challenges.
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
Elements B (1.31%)
Br (0.62%)
Cr (0.71%)
O (38.07%)
Bi (0.63%)
Mg (4.0%)
Rb (0.46%)
Al (0.87%)
Ca (0.87%)
Co (0.95%)
Mo (0.63%)
N (1.87%)
Na (1.25%)
Cu (0.92%)
Pd (0.26%)
Sb (0.64%)
I (0.76%)
Ba (0.79%)
Ge (0.62%)
H (4.39%)
Ag (0.38%)
Se (1.41%)
Fe (1.5%)
Sn (0.59%)
Li (3.42%)
Ti (0.83%)
Zn (0.69%)
Zr (0.32%)
Hg (0.25%)
V (1.07%)
Cd (0.33%)
Ta (0.29%)
K (0.92%)
Nd (0.23%)
As (0.52%)
Be (0.15%)
Dy (0.15%)
Ni (0.95%)
S (2.76%)
Cs (0.35%)
Tc (0.04%)
Nb (0.46%)
Pt (0.2%)
C (1.71%)
Cl (1.55%)
Pb (0.27%)
Mn (1.46%)
Ce (0.32%)
Rh (0.21%)
Te (0.71%)
Si (1.93%)
Sr (0.67%)
Tb (0.15%)
W (0.45%)
Hf (0.18%)
Os (0.09%)
P (3.16%)
F (4.21%)
Y (0.36%)
Tl (0.26%)
Th (0.07%)
Sm (0.21%)
U (0.18%)
Re (0.14%)
Eu (0.09%)
Ga (0.44%)
La (0.53%)
In (0.37%)
Ru (0.18%)
Au (0.21%)
Np (0.02%)
Ir (0.14%)
Pr (0.2%)
Tm (0.11%)
Er (0.16%)
Ho (0.15%)
Sc (0.18%)
Gd (0.12%)
Yb (0.16%)
Pm (0.02%)
Lu (0.11%)
Pa (0.01%)
Pu (0.03%)
Xe (0.02%)
Ac (0.01%)
Kr (0.0%)
He (0.0%)
Ar (0.0%)
Ne (0.0%)
Number of Data Objects 83,421
Number of Configurations 83,426
Number of Atoms 2,339,932
Links https://doi.org/10.1063/1.4812323
https://ndownloader.figshare.com/files/24979850
https://jarvis.nist.gov/
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_1s8172fnm2ct_0
Files colabfitspec.json

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