• Formula : Li2TeS3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.437
    b = 11.559
    c = 7.907
    α = 90.0
    β = 91.57
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 120
  • Band gap = 1.1876 eV
    Direct Gap = 1.204 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 415120

Band structure with spin-orbit coupling