Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -99.7348 eV; energy change = -0.0124 eV; symmetry: P4/nmm → P4/nmm
Created by route
Relax a crystal structure
template-Sr2CrCuSO3
Sr2CrCuSO3 phase diagram
Phase diagram of Sr2CrCuSO3 with Orb v3 conservative inf MPA; eabovehull: 0.060764 eV/atom; predicted_stable: False
CIF calculated properties
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.
/materials/structure/relax
/materials/thermo/ehull
/magnetism/curie-temperature