Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -157.2527 eV; energy change = -1.3236 eV; symmetry: P4_122 → C222_1
template-Li2TiF4
/materials/structure/relax
/materials/thermo/ehull
/magnetism/curie-temperature
Created by route
Relax a crystal structure