Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -141.2274 eV; energy change = -0.1499 eV; symmetry: P-62c → P-62c
Created by route
Relax a crystal structure
template-Li3Fe2F9
Li3Fe2F9 phase diagram
Phase diagram of Li3Fe2F9 with Orb v3 conservative inf MPA; eabovehull: 0.066558 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