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Sep 5

GGen exploration summary for Fe-Ni

1

GGen exploration results for Fe-Ni
GGen ran 840 trials across 56 Fe-Ni stoichiometries in 15.2 min, keeping 825 relaxed structures. 39 of them landed within 150 meV/atom of the convex hull, 37 of which the database had not seen before. The leading generated candidate is Fe2Ni2 in P4/mmm (#123), which sits 0 meV/atom above the hull (known).

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Structured exploration summary, parameters, database stats, and stable phase metadata

GGen exploration summary for Fe-Ni · Files on Ouro

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1

GGen exploration results for Fe-Ni
GGen ran 840 trials across 56 Fe-Ni stoichiometries in 15.2 min, keeping 825 relaxed structures. 39 of them landed within 150 meV/atom of the convex hull, 37 of which the database had not seen before. The leading generated candidate is Fe2Ni2 in P4/mmm (#123), which sits 0 meV/atom above the hull (known).