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Aug 19

GGen exploration summary for Co-Fe-Mo-N

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GGen exploration results for Co-Fe-Mo-N
GGen ran 1,000 trials across 100 Co-Fe-Mo-N stoichiometries in 23.2 min, keeping 829 relaxed structures. 57 of them landed within 150 meV/atom of the convex hull, 57 of which the database had not seen before. The leading generated candidate is Fe14N2 in Cmcm (#63), which sits 28 meV/atom above the hull (new composition).

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

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

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GGen exploration results for Co-Fe-Mo-N
GGen ran 1,000 trials across 100 Co-Fe-Mo-N stoichiometries in 23.2 min, keeping 829 relaxed structures. 57 of them landed within 150 meV/atom of the convex hull, 57 of which the database had not seen before. The leading generated candidate is Fe14N2 in Cmcm (#63), which sits 28 meV/atom above the hull (new composition).