Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -103.9216 eV; energy change = 0.0000 eV; symmetry: P-31m → P-31m
Phase diagram of BaCaV4O8 with Orb v3 conservative inf MPA; eabovehull: 0.188240 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.