Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -98.1228 eV; energy change = -0.0050 eV; symmetry: Cm → Cm

4 generated crystal structures for the chemical system Ti-Se-S

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Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -193.3896 eV; energy change = 0.0000 eV; symmetry: P2_1/c → P2_1/c

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: P2_1/c → P2_1/c

Phase diagram of C; e_above_hull: 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