template-Mn2Mo3O8 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -192.3095 eV; energy change = -0.0799 eV; symmetry: P63mc → P63mc
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