Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -35.1016 eV; energy change = 0.0000 eV; symmetry: I-42m → I-42m
Phase diagram of CoCu2SnSe4 with Orb v3 conservative inf MPA; eabovehull: 0.059126 eV/atom; predicted_stable: False
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.