Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -82.2932 eV; energy change = 0.0000 eV; symmetry: R-3m → R-3m
Created by route
Relax a crystal structure
template-Mg(CrS2)4 2
Mg(CrS2)4 phase diagram 1
Phase diagram of Mg(CrS2)4 with Orb v3 conservative inf MPA; eabovehull: 0.055245 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