Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0391 eV; energy change = -23.1355 eV; symmetry: Pmmm → Fmmm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -36.9033 eV; energy change = -78.2658 eV; symmetry: Pmmm → P4/mmm
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.041054 eV/atom; predicted_stable: False
Magnet candidate: Fe2CoW
Phase diagram of FeCo; eabovehull: 0.836404 eV/atom; predicted_stable: False
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
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9940 eV; energy change = -3.8102 eV; symmetry: P4/mmm → P4/mmm
Phase diagram of FeCoMo; eabovehull: 0.147176 eV/atom; predicted_stable: False
Magnet candidate: FeCo
Phase diagram of Fe2CoMo; eabovehull: 0.084601 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -26.0733 eV; energy change = -5.2552 eV; symmetry: Pmm2 → I4mm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.6672 eV; energy change = -73.3091 eV; symmetry: Pmmm → P4/mmm
Magnet candidate: FeCoMo
Phase diagram of Fe2Co; eabovehull: 0.026352 eV/atom; predicted_stable: False
Magnet candidate: Fe2CoMo
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
Phase diagram of Fe2Co; eabovehull: 0.510685 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co