• Formula : TlInS2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.73
    b = 7.73
    c = 7.73
    α = 28.6
    β = 28.6
    γ = 28.6
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 38
  • Band gap = 0.5619 eV
    Direct Gap = 1.248 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 25354

Band structure with spin-orbit coupling