• Formula : SnGeS3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.2704
    b = 10.197
    c = 6.8463
    α = 90.0
    β = 105.34
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 144
  • Band gap = 1.3882 eV
    Direct Gap = 1.610 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Natural SnGeS3 from Radvanice near Trutnov (Czech Republic): its description, crystal structure refinement and solid solution with PbGeS3 Locality: Radvanice near Trutnov, Czech Republic,
    European Journal of Mineralogy 13, 791 (2001)

Band structure with spin-orbit coupling