Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0828 eV; energy change = -23.1792 eV; symmetry: Pmmm → P-3m1
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.003245 eV/atom; predicted_stable: True
Magnet candidate: Fe2Co
Phase diagram of FeCoMo; eabovehull: 0.829280 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1524 eV; energy change = -23.2488 eV; symmetry: Pmmm → I4/mmm
Magnet candidate: Fe2Co
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0264 eV; energy change = -3.2086 eV; symmetry: Pmm2 → Pmm2
Phase diagram of VFe2CoMo; eabovehull: 0.143959 eV/atom; predicted_stable: False
Magnet candidate: FeCoMo
Phase diagram of Fe2Co; eabovehull: 0.040929 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.7937 eV; energy change = -51.7997 eV; symmetry: P1 → Cm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0392 eV; energy change = -23.1358 eV; symmetry: Pmmm → Fmmm
Magnet candidate: VFe2CoMo
Phase diagram of Fe2Co; eabovehull: 0.510941 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of VFeCo; eabovehull: 0.110090 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.6291 eV; energy change = -21.7255 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