• Formula : SnS
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.148
    b = 11.48
    c = 4.177
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 40
  • Band gap = 0.5955 eV
    Direct Gap = 0.596 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The high temperature structure of beta-SnS and beta-SnSe and the B16-to-B33 type gamma-transition path Sample: T = 905 K Locality: synthetic,
    Zeitschrift fur Kristallographie 156, 143 (1981)

Band structure with spin-orbit coupling