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
Magnet candidate: Fe2Co
Phase diagram of Fe2CoMo; eabovehull: 0.110002 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1914 eV; energy change = -3.2075 eV; symmetry: Pmm2 → Pmm2
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.5657 eV; energy change = -12.1261 eV; symmetry: Pmm2 → P4mm
Magnet candidate: Fe2Co
Phase diagram of Fe2CoW; eabovehull: 0.058774 eV/atom; predicted_stable: False
Magnet candidate: Fe2CoMo
Phase diagram of Fe2Co; eabovehull: 0.026369 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -36.9030 eV; energy change = -78.2675 eV; symmetry: Pmmm → P4/mmm
Magnet candidate: Fe2CoW
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0832 eV; energy change = -23.1796 eV; symmetry: Pmmm → P-3m1