Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.33 THz
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -193.3893 eV; energy change = 0.0000 eV; symmetry: P21/c → P21/c
Phase diagram of C; eabovehull: 0.000214 eV/atom; predicted_stable: True
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -237.9734 eV; energy change = -9.2149 eV; symmetry: P1 → Pm
Interstitially doped with Li at ~5.0%; supercell [2, 2, 2]; dopant atoms = 2
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -249.8914 eV; energy change = -3.2800 eV; symmetry: Pm → Amm2
Interstitially doped with B at ~5.0%; supercell [2, 2, 2]; dopant atoms = 2
Phase diagram of Fe4Co4Ni4Pt4N; eabovehull: 0.029057 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -239.3817 eV; energy change = -5.9325 eV; symmetry: P1 → Pmmm
Interstitially doped with N at ~5.0%; supercell [2, 2, 2]; dopant atoms = 2
Phase diagram of Fe8Co4C4N; eabovehull: 0.616772 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -263.1562 eV; energy change = -147.8727 eV; symmetry: P4mm → P1
Interstitially doped with N at ~5.0%; supercell [2, 2, 2]; dopant atoms = 2
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.6094 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Fe2CoC (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)