Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9940 eV; energy change = -3.8102 eV; symmetry: P4/mmm → P4/mmm
Phase diagram of FeCoMo; eabovehull: 0.147176 eV/atom; predicted_stable: False
Magnet candidate: FeCo
Phase diagram of Fe2CoMo; eabovehull: 0.084601 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -26.0733 eV; energy change = -5.2552 eV; symmetry: Pmm2 → I4mm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.6672 eV; energy change = -73.3091 eV; symmetry: Pmmm → P4/mmm
Magnet candidate: FeCoMo
Phase diagram of Fe2Co; eabovehull: 0.026352 eV/atom; predicted_stable: False
Magnet candidate: Fe2CoMo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0829 eV; energy change = -23.1793 eV; symmetry: Pmmm → P-3m1
Phase diagram of Fe2Co; eabovehull: 0.510685 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of VFeCo; eabovehull: 0.110027 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.6300 eV; energy change = -21.7264 eV; symmetry: Pmmm → P4/mmm
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 Fe2Co; eabovehull: 0.817843 eV/atom; predicted_stable: False
Magnet candidate: VFeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.7083 eV; energy change = -20.8047 eV; symmetry: Pmmm → Pmmm
Phase diagram of Fe2Co; eabovehull: 0.041014 eV/atom; predicted_stable: False