• Formula : Tl2Sn2S3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.887
    b = 7.742
    c = 7.267
    α = 90.0
    β = 105.39
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 144
  • Band gap = 0.4087 eV
    Direct Gap = 0.450 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 33531

Band structure with spin-orbit coupling