• Formula : K2SnCl6
  • Space Group : P4/mnc (128)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.0577
    b = 7.0577
    c = 9.9784
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 148
  • Band gap = 2.7117 eV
    Direct Gap = 2.712 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A neutron powder investigation of the structural changes in K2 Sn Cl6,
    Acta Crystallographica B (24,1968-38,1982) 34, 1412 (1978)

Band structure with spin-orbit coupling