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GGen phase diagram for C-Fe-N · Files on Ouro

Aug 25

GGen phase diagram for C-Fe-N

Overview

Attribution

Interactive phase diagram built from every C-Fe-N structure in the GGen database

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Size: 4.65 MB
Type: .html file
Downloads: 0

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Referenced by

GGen exploration results for C-Fe-N
GGen ran 240 trials across 24 C-Fe-N stoichiometries in 12.9 min, keeping 204 relaxed structures. 20 of them landed within 150 meV/atom of the convex hull, 20 of which the database had not seen before. The leading generated candidate is CFe33N3 in P1 (#1), which sits 48 meV/atom above the hull (new composition).