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Aug 22

GGen phase diagram for Co-Fe-Sb 3

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GGen exploration results for Co-Fe-Sb 3
GGen ran 1,000 trials across 100 Co-Fe-Sb stoichiometries in 18.5 min, keeping 939 relaxed structures. 31 of them landed within 150 meV/atom of the convex hull, 30 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 Co-Fe-Sb structure in the GGen database

GGen phase diagram for Co-Fe-Sb 3 · Files on Ouro

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GGen exploration results for Co-Fe-Sb 3
GGen ran 1,000 trials across 100 Co-Fe-Sb stoichiometries in 18.5 min, keeping 939 relaxed structures. 31 of them landed within 150 meV/atom of the convex hull, 30 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).