Dataset

TdS-PdV_Atari5200



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Name TdS-PdV_Atari5200
Extended ID TdS-PdV_Atari5200_WisesaAndolinaSaidi__DS_yk3t004l8dpd_0
Description Approximately 45,000 configurations of metal oxides of Mg, Ag, Pt, Cu and Zn, with initial training structures taken from the Materials Project database.
Authors Pandu Wisesa
Christopher M. Andolina
Wissam A. Saidi
Elements Ag (9.59%)
O (54.12%)
Mg (19.94%)
Zn (4.1%)
Pt (4.81%)
Cu (7.44%)
Number of Data Objects 44,016
Number of Configurations 44,404
Number of Atoms 1,987,604
Links https://doi.org/10.1021/acs.jpclett.2c03445
https://doi.org/10.5281/zenodo.7278341
https://doi.org/10.1021/acs.jpclett.2c03445
Configuration Sets by Name CuO — Cu(x)O(y) configurations from TdS-PdV & Atari5200
MgO — All Mg(x)O(y) configurations from TdS-PdV & Atari5200
ZnO — Zn(x)O(y) configurations from TdS-PdV & Atari5200
PtO — Pt(x)O(y) configurations from TdS-PdV & Atari5200
AgO — Ag(x)O(y) configurations from TdS-PdV & Atari5200
Configuration Sets by ID CS_2fxe7ucr4y97_0
CS_ot7dzwxlbq6z_0
CS_gqclgi22zx8c_0
CS_epi8s9spys86_0
CS_o7gfxt13pmec_0
Data Objects Too many to display
ColabFit ID DS_yk3t004l8dpd_0
Files colabfitspec.json

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