Aug 22

Co2Fe3 — I4/mmm (#139)

Name: Co2Fe3 — I4/mmm (#139)
Creator: mmoderwell
Published: 2026-08-22T06:47:17.316+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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GGen exploration results for Bi-Co-Fe 5
GGen ran 1,000 trials across 100 Bi-Co-Fe stoichiometries in 25.5 min, keeping 915 relaxed structures. 2 of them landed within 150 meV/atom of the convex hull, 2 of which the database had not seen before. The leading generated candidate is Co2Fe3 in I4/mmm (#139), which sits 4 meV/atom above the hull (new polymorph).

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GGen Bi-Co-Fe candidate: I4/mmm (#139), 4 meV/atom above the hull, -7.966 eV/atom, 10 atoms

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Size: 928 B
Type: .cif file
Downloads: 0

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Connections

1

Referenced by

GGen exploration results for Bi-Co-Fe 5
GGen ran 1,000 trials across 100 Bi-Co-Fe stoichiometries in 25.5 min, keeping 915 relaxed structures. 2 of them landed within 150 meV/atom of the convex hull, 2 of which the database had not seen before. The leading generated candidate is Co2Fe3 in I4/mmm (#139), which sits 4 meV/atom above the hull (new polymorph).

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