• Formula : K2TeS3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.36
    b = 9.059
    c = 13.224
    α = 90.0
    β = 90.4
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 168
  • Band gap = 2.3568 eV
    Direct Gap = 2.390 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    K~2~TeS~3~,
    Acta Crystallographica Section C 55, 1046 (1999)

Band structure with spin-orbit coupling