Dataset

JARVIS-2DMatPedia


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Name JARVIS-2DMatPedia
Extended ID JARVIS-2DMatPedia_ZhouShenCostaPerssonHuckLuMaChenTangFeng__DS_us48xzuoctm5_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
Elements Co (0.5%)
H (2.0%)
O (21.12%)
Tl (1.0%)
Cl (4.91%)
Nb (0.82%)
Zn (0.82%)
Mg (0.98%)
Na (0.34%)
Sb (2.17%)
Ba (0.62%)
Ni (0.45%)
Cu (0.92%)
F (6.14%)
Li (0.96%)
Br (4.06%)
Mn (0.6%)
S (5.41%)
Cd (0.37%)
Al (1.02%)
Se (4.32%)
Bi (2.35%)
In (0.91%)
I (4.25%)
Mo (0.59%)
Re (0.37%)
Zr (0.31%)
Si (1.13%)
P (2.65%)
Be (0.34%)
W (0.61%)
B (1.04%)
Fe (0.59%)
Rh (0.21%)
Te (4.62%)
Sc (0.34%)
La (0.22%)
Ru (0.19%)
Ca (0.71%)
Ga (0.85%)
Ho (0.08%)
K (0.31%)
V (1.17%)
N (2.07%)
Sr (0.75%)
Ta (0.81%)
As (1.75%)
C (1.43%)
Hf (0.26%)
Pd (0.36%)
Tc (0.23%)
Sn (1.22%)
Ti (0.59%)
Hg (0.52%)
Pu (0.02%)
Ge (1.18%)
Au (0.42%)
Pt (0.3%)
Os (0.19%)
Y (0.41%)
Cr (0.61%)
U (0.19%)
Yb (0.07%)
Ce (0.14%)
Tb (0.11%)
Dy (0.06%)
Pb (1.15%)
Er (0.1%)
Ir (0.21%)
Rb (0.2%)
Eu (0.05%)
Tm (0.07%)
Th (0.07%)
Sm (0.08%)
Ag (0.63%)
Np (0.03%)
Pr (0.07%)
Lu (0.08%)
Nd (0.11%)
Gd (0.05%)
Pa (0.02%)
Xe (0.0%)
Ac (0.0%)
Number of Data Objects 6,351
Number of Configurations 6,351
Number of Atoms 66,295
Links https://doi.org/10.1038/s41597-019-0097-3
https://jarvis.nist.gov/
https://ndownloader.figshare.com/files/26789006
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_us48xzuoctm5_0
Files colabfitspec.json

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