Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -98.1381 eV; energy change = -0.0879 eV; symmetry: I4/mcm → I4/mcm
New magnet candidate: 04Fe2BMs1.72T
Phase diagram of Fe2B; eabovehull: 0.000058 eV/atom; predicted_stable: True