• Formula : SnS2
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.639
    b = 3.639
    c = 5.868
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 26
  • Band gap = 1.4075 eV
    Direct Gap = 1.942 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure,
    Crystal Structures 1, 239 (1963)

Band structure with spin-orbit coupling