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Aug 23

GGen phase diagram for Fe-Ni-Sn

Overview

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

GGen phase diagram for Fe-Ni-Sn · Files on Ouro

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Size: 4.69 MB
Type: .html file
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GGen exploration results for Fe-Ni-Sn
GGen ran 120 trials across 12 Fe-Ni-Sn stoichiometries in 3.9 min, keeping 122 relaxed structures. 12 of them landed within 150 meV/atom of the convex hull, 12 of which the database had not seen before. The leading generated candidate is Fe8Ni5Sn in Pm (#6), which sits 73 meV/atom above the hull (new composition).