Aug 19

GGen candidate CIFs for Co-Fe-N-Ti 1

Name: GGen candidate CIFs for Co-Fe-N-Ti 1
Creator: mmoderwell
Published: 2026-08-19T07:54:40.355+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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GGen exploration results for Co-Fe-N-Ti 1
GGen ran 690 trials across 69 Co-Fe-N-Ti stoichiometries in 17.0 min, keeping 619 relaxed structures. 16 of them landed within 150 meV/atom of the convex hull, 16 of which the database had not seen before. The leading generated candidate is Fe10N in Cmmm (#65), which sits 19 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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Size: 11.23 KB
Type: .zip file
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GGen exploration results for Co-Fe-N-Ti 1
GGen ran 690 trials across 69 Co-Fe-N-Ti stoichiometries in 17.0 min, keeping 619 relaxed structures. 16 of them landed within 150 meV/atom of the convex hull, 16 of which the database had not seen before. The leading generated candidate is Fe10N in Cmmm (#65), which sits 19 meV/atom above the hull (new composition).

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