Phase diagram of CrFe8N; eabovehull: 0.607990 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -160.7409 eV; energy change = -7.7691 eV; symmetry: I4/mmm → I4/mmm
RE-free magnet candidate: 03CrFe12NMs1.67T
Phase diagram of MnFe8N; eabovehull: 0.571059 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -159.6838 eV; energy change = -6.6213 eV; symmetry: I4/mmm → I4/mmm
RE-free magnet candidate: 02MnFe12NMs1.76T
Phase diagram of MnFe4; eabovehull: 0.119121 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -168.9704 eV; energy change = -22.5322 eV; symmetry: I4/mmm → P1
RE-free magnet candidate: 01Mn2Fe12NMs1.82T
Phase diagram of MnFe4; eabovehull: 0.966910 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -152.0149 eV; energy change = -5.5766 eV; symmetry: I4/mmm → I4/mmm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -152.0143 eV; energy change = -5.5757 eV; symmetry: I4/mmm → I4/mmm
RE-free magnet candidate: 01Mn2Fe12NMs1.82T
Phase diagram of MnFe4; eabovehull: 1.095778 eV/atom; predicted_stable: False
RE-free magnet candidate: 06ZrFe12NMs1.42T
RE-free magnet candidate: 05MoFe12NMs1.47T
RE-free magnet candidate: 04RhFe12NMs1.52T
RE-free magnet candidate: 03CrFe12NMs1.67T
RE-free magnet candidate: 02MnFe12NMs1.76T
RE-free magnet candidate: 01Mn2Fe12NMs1.82T