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GGen phase diagram for Fe-W · Files on Ouro

Sep 5

GGen phase diagram for Fe-W

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GGen exploration results for Fe-W
GGen ran 1,500 trials across 100 Fe-W stoichiometries in 25.1 min, keeping 1,491 relaxed structures. 41 of them landed within 150 meV/atom of the convex hull, 39 of which the database had not seen before. The leading generated candidate is Fe12W in C2/m (#12), which sits 1 meV/atom above the hull (new composition).

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

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GGen exploration results for Fe-W
GGen ran 1,500 trials across 100 Fe-W stoichiometries in 25.1 min, keeping 1,491 relaxed structures. 41 of them landed within 150 meV/atom of the convex hull, 39 of which the database had not seen before. The leading generated candidate is Fe12W in C2/m (#12), which sits 1 meV/atom above the hull (new composition).