Aug 18

Fe13N — P-1 (#2)

Name: Fe13N — P-1 (#2)
Creator: mmoderwell
Published: 2026-08-19T04:12:05.888+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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GGen exploration results for Co-Fe-N-Si
GGen ran 1,000 trials across 100 Co-Fe-N-Si stoichiometries in 25.6 min, keeping 869 relaxed structures. 52 of them landed within 150 meV/atom of the convex hull, 52 of which the database had not seen before. The leading generated candidate is Fe12N in P2/m (#10), which sits 18 meV/atom above the hull (new composition).

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GGen Co-Fe-N-Si candidate: P-1 (#2), 28 meV/atom above the hull, -8.427 eV/atom, 14 atoms

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Type: .cif file
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Referenced by

GGen exploration results for Co-Fe-N-Si
GGen ran 1,000 trials across 100 Co-Fe-N-Si stoichiometries in 25.6 min, keeping 869 relaxed structures. 52 of them landed within 150 meV/atom of the convex hull, 52 of which the database had not seen before. The leading generated candidate is Fe12N in P2/m (#10), which sits 18 meV/atom above the hull (new composition).

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