Interstitially doped with C at ~1.0%; supercell [3, 3, 3]; dopant atoms = 3

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -5.79 THz

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.84 THz

Phase diagram of Mn5Fe2Co5; eabovehull: 0.168114 eV/atom; predicted_stable: False

Ggen exploration (explorationCo-Fe-Mn20260103_082846)

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -10.09 THz

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