Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -64.6316 eV; energy change = -0.4158 eV; symmetry: P-3m1 → C2/m
Created by route
Relax a crystal structure
template-Li3Co2NiO6
/materials/structure/relax
/materials/thermo/ehull
/magnetism/curie-temperature