Aug 19

GGen candidate CIFs for C-Co-Fe

Name: GGen candidate CIFs for C-Co-Fe
Creator: mmoderwell
Published: 2026-08-19T08:51:41.858+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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GGen exploration results for C-Co-Fe
GGen ran 1,000 trials across 100 C-Co-Fe stoichiometries in 18.7 min, keeping 953 relaxed structures. 54 of them landed within 150 meV/atom of the convex hull, 51 of which the database had not seen before. The leading generated candidate is CoFe12 in C2/m (#12), which sits 0 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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GGen exploration results for C-Co-Fe
GGen ran 1,000 trials across 100 C-Co-Fe stoichiometries in 18.7 min, keeping 953 relaxed structures. 54 of them landed within 150 meV/atom of the convex hull, 51 of which the database had not seen before. The leading generated candidate is CoFe12 in C2/m (#12), which sits 0 meV/atom above the hull (new composition).

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