• Formula : K2PtS6
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.73
    b = 6.73
    c = 10.26
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0611 eV
    Direct Gap = 0.079 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Atomic Arrangement in Crystals of the Alkali Platini-thiocyanates _cod_database_code 1010599,
    American Journal of Science 15, 487 (1928)

Band structure with spin-orbit coupling