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Aug 19

GGen exploration summary for Co-Fe-N-V

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GGen exploration results for Co-Fe-N-V
GGen ran 1,000 trials across 100 Co-Fe-N-V stoichiometries in 25.5 min, keeping 881 relaxed structures. 45 of them landed within 150 meV/atom of the convex hull, 45 of which the database had not seen before. The leading generated candidate is Fe15N in C2/m (#12), which sits 22 meV/atom above the hull (new composition).

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

GGen exploration summary for Co-Fe-N-V · Files on Ouro

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GGen exploration results for Co-Fe-N-V
GGen ran 1,000 trials across 100 Co-Fe-N-V stoichiometries in 25.5 min, keeping 881 relaxed structures. 45 of them landed within 150 meV/atom of the convex hull, 45 of which the database had not seen before. The leading generated candidate is Fe15N in C2/m (#12), which sits 22 meV/atom above the hull (new composition).