Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -33.0476 eV; energy change = -0.0340 eV; symmetry: I-42m → I-42m
Phase diagram of Mn(GaSe2)2 with Orb v3 conservative inf MPA; eabovehull: 0.009060 eV/atom; predicted_stable: True
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.