Aug 18

GGen candidate CIFs for Al-Co-Fe-N

Name: GGen candidate CIFs for Al-Co-Fe-N
Creator: mmoderwell
Published: 2026-08-19T04:36:15.945+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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GGen exploration results for Al-Co-Fe-N
GGen ran 1,000 trials across 100 Al-Co-Fe-N stoichiometries in 23.0 min, keeping 814 relaxed structures. 33 of them landed within 150 meV/atom of the convex hull, 33 of which the database had not seen before. The leading generated candidate is Fe8N2 in Pmna (#53), which sits 8 meV/atom above the hull (new polymorph).

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Selected stable or near-hull GGen candidates as CIF files

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Size: 17.45 KB
Type: .zip file
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GGen exploration results for Al-Co-Fe-N
GGen ran 1,000 trials across 100 Al-Co-Fe-N stoichiometries in 23.0 min, keeping 814 relaxed structures. 33 of them landed within 150 meV/atom of the convex hull, 33 of which the database had not seen before. The leading generated candidate is Fe8N2 in Pmna (#53), which sits 8 meV/atom above the hull (new polymorph).

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