Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -17.9417 eV; energy change = -0.0038 eV; symmetry: P-3m1 → P-3m1
Phase diagram of CrSe2 with Orb v3 conservative inf MPA; eabovehull: 0.006984 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.