Phase diagram of C; eabovehull: 0.000214 eV/atom; predicted_stable: True

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz

Phonon band structure (supercell [4, 4, 4], Δ=0.01 Å); imaginary modes detected; min freq = -8.34 THz

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.18 THz

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.12 THz

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -19.0947 eV; energy change = -0.0457 eV; symmetry: P3m1 → P3m1

Chemeleon generated TiSeS crystal (space group: P1 #1, crystal system: triclinic, point group: 1) (missed requested crystal system: hexagonal)

Chemeleon generated TiSeS crystal (space group: P1 #1, crystal system: triclinic, point group: 1) (missed requested crystal system: trigonal)

Relaxed with Orb v3; 0.0 eV/Å threshold; final energy = -19.1108 eV; energy change = -0.0022 eV; symmetry: P3m1 → P3m1

Relaxed with Orb v3; 0.0 eV/Å threshold; final energy = -19.1109 eV; energy change = -0.0022 eV; symmetry: P3m1 → P3m1

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.17 THz

Phase diagram of TiSeS; eabovehull: 0.000000 eV/atom; predicted_stable: True