Aug 20

GGen candidate CIFs for Co-Fe-N 2

Name: GGen candidate CIFs for Co-Fe-N 2
Creator: mmoderwell
Published: 2026-08-20T06:25:16.056+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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GGen exploration results for Co-Fe-N 2
GGen ran 1,000 trials across 100 Co-Fe-N stoichiometries in 23.5 min, keeping 832 relaxed structures. 53 of them landed within 150 meV/atom of the convex hull, 53 of which the database had not seen before. The leading generated candidate is Fe13N in C2/m (#12), which sits 16 meV/atom above the hull (new composition).

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Selected stable or near-hull GGen candidates as CIF files

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Type: .zip file
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GGen exploration results for Co-Fe-N 2
GGen ran 1,000 trials across 100 Co-Fe-N stoichiometries in 23.5 min, keeping 832 relaxed structures. 53 of them landed within 150 meV/atom of the convex hull, 53 of which the database had not seen before. The leading generated candidate is Fe13N in C2/m (#12), which sits 16 meV/atom above the hull (new composition).

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