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GGen phase diagram for Bi-Co-Fe · Files on Ouro

Aug 19

GGen phase diagram for Bi-Co-Fe

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GGen exploration results for Bi-Co-Fe
GGen ran 1,000 trials across 100 Bi-Co-Fe stoichiometries in 23.2 min, keeping 951 relaxed structures. 17 of them landed within 150 meV/atom of the convex hull, 15 of which the database had not seen before. The leading generated candidate is Co4Fe6 in P4/m (#83), which sits on the hull (new polymorph).

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Interactive phase diagram built from every Bi-Co-Fe structure in the GGen database

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GGen exploration results for Bi-Co-Fe
GGen ran 1,000 trials across 100 Bi-Co-Fe stoichiometries in 23.2 min, keeping 951 relaxed structures. 17 of them landed within 150 meV/atom of the convex hull, 15 of which the database had not seen before. The leading generated candidate is Co4Fe6 in P4/m (#83), which sits on the hull (new polymorph).