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Aug 24

GGen candidate CIFs for Co-Fe-N 3

Overview

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Selected stable or near-hull GGen candidates as CIF files

GGen candidate CIFs for Co-Fe-N 3 · Files on Ouro

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Jul 15

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GGen exploration results for Co-Fe-N 3
GGen ran 1,000 trials across 100 Co-Fe-N stoichiometries in 24.0 min, keeping 815 relaxed structures. 35 of them landed within 150 meV/atom of the convex hull, 34 of which the database had not seen before. The leading generated candidate is Fe6N2 in P6_322 (#182), which sits on the hull (known).

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