GGen exploration results for C-Fe-N
GGen ran 240 trials across 24 C-Fe-N stoichiometries in 12.9 min, keeping 204 relaxed structures. 20 of them landed within 150 meV/atom of the convex hull, 20 of which the database had not seen before. The leading generated candidate is CFe33N3 in P1 (#1), which sits 48 meV/atom above the hull (new composition).