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
Magnet candidate: Fe2Co
Phase diagram of FeCo; eabovehull: 0.142327 eV/atom; predicted_stable: False
Phase diagram of FeCo; eabovehull: 0.836440 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -15.3823 eV; energy change = -6.7006 eV; symmetry: P3m1 → P-6m2
Magnet candidate: FeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9940 eV; energy change = -3.8103 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Phase diagram of FeCo; eabovehull: 0.836481 eV/atom; predicted_stable: False
Phase diagram of FeCo; eabovehull: 0.836438 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9942 eV; energy change = -3.8104 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9942 eV; energy change = -3.8104 eV; symmetry: P4/mmm → P4/mmm