Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.7814 eV; energy change = -4.6467 eV; symmetry: Pmm2 → Fmm2
Magnet candidate: Fe2Co
Phase diagram of FeCo; eabovehull: 0.142382 eV/atom; predicted_stable: False
Magnet candidate: VFeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -15.3824 eV; energy change = -6.7008 eV; symmetry: P3m1 → P-6m2
Magnet candidate: FeCo
Phase diagram of TiFeCo; eabovehull: 5.432083 eV/atom; predicted_stable: False
Phase diagram of Fe2Co; eabovehull: 0.026392 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -8.0638 eV; energy change = 5.3787 eV; symmetry: P3m1 → P3m1
Magnet candidate: TiFeCo
Phase diagram of TiFeCo; eabovehull: 5.432063 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0830 eV; energy change = -23.1794 eV; symmetry: Pmmm → P-3m1
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.003194 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -8.0638 eV; energy change = 5.3787 eV; symmetry: P3m1 → P3m1
Magnet candidate: TiFeCo
Phase diagram of Fe2CoW; eabovehull: 0.058656 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1521 eV; energy change = -23.2485 eV; symmetry: Pmmm → I4/mmm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -36.9036 eV; energy change = -78.2661 eV; symmetry: Pmmm → P4/mmm
Magnet candidate: Fe2Co