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Aug 23

GGen phase diagram for Al-Fe-N-Ni

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GGen exploration results for Al-Fe-N-Ni
GGen ran 1,000 trials across 100 Al-Fe-N-Ni stoichiometries in 28.6 min, keeping 916 relaxed structures. 54 of them landed within 150 meV/atom of the convex hull, 53 of which the database had not seen before. The leading generated candidate is Fe3NNi in Pm-3m (#221), which sits 36 meV/atom above the hull (known).

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

GGen phase diagram for Al-Fe-N-Ni · Files on Ouro

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GGen exploration results for Al-Fe-N-Ni
GGen ran 1,000 trials across 100 Al-Fe-N-Ni stoichiometries in 28.6 min, keeping 916 relaxed structures. 54 of them landed within 150 meV/atom of the convex hull, 53 of which the database had not seen before. The leading generated candidate is Fe3NNi in Pm-3m (#221), which sits 36 meV/atom above the hull (known).