• Formula : CsSnCl3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 16.1
    b = 7.425
    c = 5.748
    α = 90.0
    β = 93.2
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 176
  • Band gap = 2.8109 eV
    Direct Gap = 2.811 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure and phase transition of cesium trichlorostannate(II),
    Acta Chemica Scandinavica (1-27,1973-42,1988) 24, 150 (1970)

Band structure with spin-orbit coupling