GGen exploration results for B-Fe-N
GGen ran 240 trials across 24 B-Fe-N stoichiometries in 12.6 min, keeping 202 relaxed structures. 6 of them landed within 150 meV/atom of the convex hull, 6 of which the database had not seen before. The leading generated candidate is BFe27N3 in P1 (#1), which sits 112 meV/atom above the hull (new composition).