• Formula : Sn2S3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.864
    b = 14.02
    c = 3.747
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 184
  • Band gap = 0.6328 eV
    Direct Gap = 0.730 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur von Sn2 S3,
    Acta Crystallographica (1,1948-23,1967) 23, 471 (1967)

Band structure with spin-orbit coupling