Download Dataset XYZ file

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
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
Data Objects Too many to display
ColabFit ID DS_yk3t004l8dpd_0
Files colabfitspec.json

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