• Formula : SnSb4S7
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 11.331
    b = 3.865
    c = 13.94
    α = 90.0
    β = 105.281
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 152
  • Band gap = 0.322 eV
    Direct Gap = 0.617 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of SnSb4S7, a new member of the meneghinite homologous series,
    The Canadian Mineralogist 48, 1119 (2010)

Band structure with spin-orbit coupling