Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.7086 eV; energy change = -20.8050 eV; symmetry: Pmmm → Pmmm
Magnet candidate: Fe2Co
Phase diagram of VFeCo; eabovehull: 5.298891 eV/atom; predicted_stable: False
Phase diagram of Fe2Co; eabovehull: 0.657123 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -9.2149 eV; energy change = 4.7594 eV; symmetry: P3m1 → P3m1
Magnet candidate: VFeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1912 eV; energy change = -3.2073 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.657056 eV/atom; predicted_stable: False
Phase diagram of Fe2Co; eabovehull: 0.040939 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1912 eV; energy change = -3.2074 eV; symmetry: Pmm2 → Pmm2
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0392 eV; energy change = -23.1356 eV; symmetry: Pmmm → Fmmm
Magnet candidate: Fe2Co
Phase diagram of Fe2CoMo; eabovehull: 0.084629 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.026330 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.6673 eV; energy change = -73.3128 eV; symmetry: Pmmm → P4/mmm
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: Fe2CoMo
Phase diagram of Fe2Co; eabovehull: 0.657104 eV/atom; predicted_stable: False