Magnet candidate: Fe2Co
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9941 eV; energy change = -3.9353 eV; symmetry: P4/mmm → P4/mmm
Phase diagram of FeCo; eabovehull: 0.142292 eV/atom; predicted_stable: False
Magnet candidate: FeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -15.3826 eV; energy change = -6.7811 eV; symmetry: P3m1 → P-6m2
Phase diagram of Fe2Co; eabovehull: 0.656963 eV/atom; predicted_stable: False
Magnet candidate: FeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1911 eV; energy change = -7.1558 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.040986 eV/atom; predicted_stable: False
Phase diagram of Fe2Co; eabovehull: 0.026354 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0394 eV; energy change = -9.0041 eV; symmetry: Pmm2 → Fmmm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0828 eV; energy change = -23.1793 eV; symmetry: Pmmm → P-3m1
Magnet candidate: Fe2Co
Phase diagram of FeCoMo; eabovehull: 0.147049 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.133424 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -26.0732 eV; energy change = -5.2552 eV; symmetry: Pmm2 → I4mm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -23.3358 eV; energy change = -22.4322 eV; symmetry: Pmmm → P1
Magnet candidate: FeCoMo