Phase diagram of MnFe18Co; eabovehull: 0.002921 eV/atom; predicted_stable: True
Ggen exploration (explorationCo-Fe-Mn20260103_082846)
Phase diagram of Mn12Co5; eabovehull: 0.077642 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -6.60 THz
Ggen exploration (explorationCo-Fe-Mn20260103_082846)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -58.7428 eV; energy change = -28.1714 eV; symmetry: P1 → Pm
Magnet candidate: Hf2Fe10CoNB
Phase diagram of Fe2CoWCN; eabovehull: 6.164731 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -18.3395 eV; energy change = 11.1467 eV; symmetry: P1 → P1
Magnet candidate: Fe10Co2WNC
Phase diagram of Mn2PtAu; eabovehull: 2.381975 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -19.4543 eV; energy change = -0.6799 eV; symmetry: R3m → P1
Magnet candidate: Mn4Pt2Au_L21
Phase diagram of Fe2ReIr; eabovehull: 0.461125 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -36.0008 eV; energy change = -14.4720 eV; symmetry: P1 → P1
Magnet candidate: Fe8ReIr_orthorhombic
Phase diagram of Co2IrPt; eabovehull: 0.883376 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -25.0646 eV; energy change = -7.1577 eV; symmetry: P3m1 → P3m1
Magnet candidate: Co4Ir2Pt_hexagonal
Phase diagram of Fe2OsW; eabovehull: 6.567754 eV/atom; predicted_stable: False