Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -14.9122 eV; energy change = 4.5514 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe6W2Os_tetragonal
Phase diagram of SmFe2CoCuNiN; eabovehull: 0.435419 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -47.1000 eV; energy change = -18.7020 eV; symmetry: P1 → P1
Magnet candidate: SmFeCoNiCuN_ThMn12
Phase diagram of MnFe2CoNiW; eabovehull: 0.093551 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -51.6525 eV; energy change = -21.4762 eV; symmetry: P1 → Amm2
Magnet candidate: Fe4CoNiMnW_ThMn12
Phase diagram of MnCrFeCoNi; eabovehull: 0.077759 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -39.9389 eV; energy change = -28.6858 eV; symmetry: P1 → Cm
Magnet candidate: FeCoNiMnCr_bcc
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -9.4818 eV; energy change = -0.0148 eV; symmetry: Pm-3m → Pm-3m
Magnet candidate: ZnFe_tetragonal
Phase diagram of ZrFe4; eabovehull: 0.383460 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -41.2592 eV; energy change = -0.8069 eV; symmetry: Cmmm → Cmmm
New magnet candidate: 06ZrFe5Ms1.55T
Phase diagram of HfFe4; eabovehull: 0.402432 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -42.7625 eV; energy change = -0.9148 eV; symmetry: Cmmm → Cmmm
New magnet candidate: 05HfFe5Ms1.58T
Phase diagram of Fe2B; eabovehull: 0.000058 eV/atom; predicted_stable: True