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GGen phase diagram for Co-Fe-W 1 · Files on Ouro

Aug 21

GGen phase diagram for Co-Fe-W 1

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GGen exploration results for Co-Fe-W 1
GGen ran 810 trials across 81 Co-Fe-W stoichiometries in 15.9 min, keeping 760 relaxed structures. 29 of them landed within 150 meV/atom of the convex hull, 26 of which the database had not seen before. The leading generated candidate is Co2Fe2 in Pm-3m (#221), which sits 0 meV/atom above the hull (known).

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

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GGen exploration results for Co-Fe-W 1
GGen ran 810 trials across 81 Co-Fe-W stoichiometries in 15.9 min, keeping 760 relaxed structures. 29 of them landed within 150 meV/atom of the convex hull, 26 of which the database had not seen before. The leading generated candidate is Co2Fe2 in Pm-3m (#221), which sits 0 meV/atom above the hull (known).