Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -97.0919 eV; energy change = 0.0000 eV; symmetry: Cmcm → Cmcm
Created by route
Relax a crystal structure
Fe2B (Cmcm)
Fe2B (requested SG: P4/nmm #129, calculated: Cmcm #63, optimized: 402 steps, cell relaxed, symmetry refined)
Fe2B phase diagram 1
Phase diagram of Fe2B with Orb v3 conservative inf MPA; eabovehull: 0.085983 eV/atom; predicted_stable: False
/materials/structure/relax
/materials/thermo/ehull
/magnetism/curie-temperature