Dataset

Carolina_Materials



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Name Carolina_Materials
Extended ID Carolina_Materials_ZhaoAl-FahdiHuSiriwardaneSongNasiriHu__DS_r2r8k3fyb6ny_0
Description Carolina Materials contains structures used to train several machine learning models for the efficient generation of hypothetical inorganic materials. The database is built using structures from OQMD, Materials Project and ICSD, as well as ML generated structures validated by DFT.
Authors Yong Zhao
Mohammed Al-Fahdi
Ming Hu
Edirisuriya M. D. Siriwardane
Yuqi Song
Alireza Nasiri
Jianjun Hu
Elements Ir (1.41%)
Li (1.91%)
S (2.44%)
Te (1.71%)
Bi (0.87%)
Ga (1.47%)
I (1.89%)
Br (2.2%)
F (2.64%)
Sn (1.07%)
Mg (1.17%)
Rh (1.55%)
Si (4.39%)
Ta (1.12%)
Fe (1.81%)
V (2.32%)
Mn (1.41%)
Ni (1.65%)
Tc (1.44%)
Tl (0.61%)
Al (1.59%)
Ba (0.48%)
Zn (1.25%)
Zr (1.22%)
K (1.51%)
Pb (0.62%)
Se (1.46%)
B (1.74%)
C (1.53%)
Pt (1.32%)
Sb (1.33%)
O (2.52%)
W (1.36%)
Y (0.89%)
Ag (0.85%)
Ge (1.34%)
P (1.93%)
Ti (3.15%)
Cu (1.27%)
Pd (1.2%)
Au (1.24%)
N (1.79%)
As (1.62%)
Sr (0.54%)
Cr (1.6%)
Hg (0.98%)
Sc (1.12%)
Hf (0.97%)
Be (1.88%)
Na (2.25%)
Cd (1.0%)
Nb (2.06%)
Rb (0.59%)
Ru (1.37%)
Os (1.3%)
Co (1.45%)
Ca (0.74%)
Re (1.37%)
Mo (1.16%)
Cl (2.32%)
H (7.54%)
Cs (0.44%)
In (1.04%)
Po (0.01%)
Number of Data Objects 214,280
Number of Configurations 214,280
Number of Atoms 3,168,502
Links https://doi.org/10.1002/advs.202100566
https://zenodo.org/records/8381476
http://www.carolinamatdb.org/
https://github.com/IntelLabs/matsciml
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_r2r8k3fyb6ny_0
Files colabfitspec.json

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