Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -112.9057 eV; energy change = -0.0050 eV; symmetry: R3m → R3m
Created by route
Relax a crystal structure
template-Li5V4O8
Li5V4O8 phase diagram
Phase diagram of Li5V4O8 with Orb v3 conservative inf MPA; eabovehull: 0.102779 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