Aug 18

Fe8N2 — Pmna (#53)

Name: Fe8N2 — Pmna (#53)
Creator: mmoderwell
Published: 2026-08-19T04:36:15.987+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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GGen Al-Co-Fe-N candidate: Pmna (#53), 8 meV/atom above the hull, -8.481 eV/atom, 10 atoms

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Type: .cif file
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Referenced by

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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