Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -50.4272 eV; energy change = -28.7171 eV; symmetry: Amm2 → P-6m2
Magnet candidate: TiFe2CoW
Magnet candidate: Zr2MnFe2Co
Phase diagram of Fe2CoNiPt; eabovehull: 1.227783 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -30.3548 eV; energy change = -12.7998 eV; symmetry: Pmmm → Pmmm
Magnet candidate: Fe2CoNiPt
Phase diagram of Fe2Co; eabovehull: 0.003150 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1525 eV; energy change = -23.2489 eV; symmetry: Pmmm → I4/mmm
Magnet candidate: Fe2Co
Phase diagram of Fe2CoBOs; eabovehull: 0.275557 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -40.3386 eV; energy change = -17.7435 eV; symmetry: P3m1 → P3m1
Magnet candidate: Fe2CoBOs
Phase diagram of Fe2Co; eabovehull: 0.026364 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0833 eV; energy change = -23.1797 eV; symmetry: Pmmm → P-3m1
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.003160 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -47.6160 eV; energy change = -17.5588 eV; symmetry: P1 → Cm
Magnet candidate: YFeCo2IrC
Phase diagram of Ce2Fe2CoReC; eabovehull: 5.698263 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1523 eV; energy change = -23.2487 eV; symmetry: Pmmm → I4/mmm