Aug 18

GGen candidate CIFs for Co-Fe-N

Name: GGen candidate CIFs for Co-Fe-N
Creator: mmoderwell
Published: 2026-08-19T03:45:04.862+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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GGen exploration results for Co-Fe-N
GGen ran 1,000 trials across 100 Co-Fe-N stoichiometries in 25.6 min, keeping 836 relaxed structures. 74 of them landed within 150 meV/atom of the convex hull, 74 of which the database had not seen before. The leading generated candidate is Co2Fe12N in Cm (#8), which sits 50 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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Referenced by

GGen exploration results for Co-Fe-N
GGen ran 1,000 trials across 100 Co-Fe-N stoichiometries in 25.6 min, keeping 836 relaxed structures. 74 of them landed within 150 meV/atom of the convex hull, 74 of which the database had not seen before. The leading generated candidate is Co2Fe12N in Cm (#8), which sits 50 meV/atom above the hull (new composition).

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