Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -127.3528 eV; energy change = -28.9892 eV; symmetry: R-3 → R3
Phase diagram of SrMn7S12 with Orb v3 conservative inf MPA; eabovehull: 0.085968 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.