Magnet candidate: Fe2CoW
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.0718 eV; energy change = -9.6986 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe2Co
Phase diagram of Fe2CoMo; eabovehull: 0.084517 eV/atom; predicted_stable: False
Phase diagram of Fe2Co; eabovehull: 0.041022 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.6671 eV; energy change = -73.3126 eV; symmetry: Pmmm → P4/mmm
Magnet candidate: Fe2CoMo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0389 eV; energy change = -23.1353 eV; symmetry: Pmmm → Fmmm
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.026432 eV/atom; predicted_stable: False
Phase diagram of Fe2Co; eabovehull: 0.026301 eV/atom; predicted_stable: False
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
Magnet candidate: Fe2Co
Phase diagram of FeCoMo; eabovehull: 0.147065 eV/atom; predicted_stable: False
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: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.817721 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -26.0729 eV; energy change = -5.2547 eV; symmetry: Pmm2 → I4mm
Magnet candidate: FeCoMo
Phase diagram of Fe2Co; eabovehull: 0.003127 eV/atom; predicted_stable: True