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
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.026485 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -18.8814 eV; energy change = 10.5218 eV; symmetry: Cm → P1
Magnet candidate: Ce2Fe2CoReC
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0831 eV; energy change = -23.1795 eV; symmetry: Pmmm → P-3m1
Magnet candidate: Fe2Co
Phase diagram of MnGaFeCo; eabovehull: 0.534155 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -26.2611 eV; energy change = -8.7559 eV; symmetry: P3m1 → P3m1
Magnet candidate: MnGaFeCo
Phase diagram of AlFeNi; eabovehull: 0.368010 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -18.1552 eV; energy change = -8.3023 eV; symmetry: R3m → F-43m
Magnet candidate: AlFeNi
Phase diagram of Ga2FeCoNi; eabovehull: 0.155753 eV/atom; predicted_stable: False
Phase diagram of FeCoReNiMo; eabovehull: 5.954087 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -28.0698 eV; energy change = -11.4231 eV; symmetry: Pmm2 → Amm2
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -15.1718 eV; energy change = 6.8277 eV; symmetry: P1 → P1