Aug 19

Fe11N — P-1 (#2)

Name: Fe11N — P-1 (#2)
Creator: mmoderwell
Published: 2026-08-19T07:12:46.264+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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GGen exploration results for Co-Fe-Mo-N
GGen ran 1,000 trials across 100 Co-Fe-Mo-N stoichiometries in 23.2 min, keeping 829 relaxed structures. 57 of them landed within 150 meV/atom of the convex hull, 57 of which the database had not seen before. The leading generated candidate is Fe14N2 in Cmcm (#63), which sits 28 meV/atom above the hull (new composition).

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GGen Co-Fe-Mo-N candidate: P-1 (#2), 31 meV/atom above the hull, -8.427 eV/atom, 12 atoms

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Type: .cif file
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1

Referenced by

GGen exploration results for Co-Fe-Mo-N
GGen ran 1,000 trials across 100 Co-Fe-Mo-N stoichiometries in 23.2 min, keeping 829 relaxed structures. 57 of them landed within 150 meV/atom of the convex hull, 57 of which the database had not seen before. The leading generated candidate is Fe14N2 in Cmcm (#63), which sits 28 meV/atom above the hull (new composition).

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