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
Phase diagram of Fe2Co; eabovehull: 0.656967 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of Fe2CoWN; eabovehull: 0.234778 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1914 eV; energy change = -7.1560 eV; symmetry: Pmm2 → Pmm2
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -44.8769 eV; energy change = -10.1856 eV; symmetry: Amm2 → Amm2
Magnet candidate: Fe2Co
Phase diagram of FeCo; eabovehull: 0.142371 eV/atom; predicted_stable: False
Magnet candidate: Fe2CoWN
Phase diagram of Fe2Co; eabovehull: 0.817830 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -15.3821 eV; energy change = -6.7004 eV; symmetry: P3m1 → P-6m2
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.7085 eV; energy change = -20.8050 eV; symmetry: Pmmm → Pmmm
Magnet candidate: FeCo
Magnet candidate: Fe2Co
Phase diagram of HfFe2CoMo; eabovehull: 0.266273 eV/atom; predicted_stable: False