Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -441.8209 eV; energy change = -343.0575 eV; symmetry: P1 → P1
Phase diagram of Fe2CoB; eabovehull: 0.279038 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -30.5355 eV; energy change = -6.0957 eV; symmetry: Amm2 → Amm2
Magnet candidate: Fe2CoB
Phase diagram of TiFe3N; eabovehull: 0.948010 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -40.1457 eV; energy change = -12.8558 eV; symmetry: P1 → P1
Magnet candidate: TiFe3N
Phase diagram of GaFeN; eabovehull: 0.561144 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -19.0515 eV; energy change = -1.3163 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: GaFeN
Phase diagram of FeCo; eabovehull: 0.836376 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9941 eV; energy change = -3.8104 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Phase diagram of FeCo; eabovehull: 0.836373 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9943 eV; energy change = -3.8105 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Phase diagram of VFe2CoNi; eabovehull: 0.112638 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -39.0836 eV; energy change = -16.8598 eV; symmetry: P1 → Cm
Magnet candidate: VFe2CoNi