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Sep 11

GGen phase diagram for Fe-Si-W

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

GGen phase diagram for Fe-Si-W · Files on Ouro

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Size: 4.69 MB
Type: .html file
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GGen exploration results for Fe-Si-W
GGen ran 1,500 trials across 100 Fe-Si-W stoichiometries in 33.5 min, keeping 1,503 relaxed structures. 67 of them landed within 150 meV/atom of the convex hull, 65 of which the database had not seen before. The leading generated candidate is Fe18SiW in P1 (#1), which sits 8 meV/atom above the hull (new composition).