• Formula : K2S2O5
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.936
    b = 6.166
    c = 7.548
    α = 90.0
    β = 102.61
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 120
  • Band gap = 3.6861 eV
    Direct Gap = 3.745 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The structure of potassium pyrosulfite and the nature of the pyrosulfite ion,
    Acta Crystallographica (1,1948-23,1967) 10, 406 (1957)

Band structure with spin-orbit coupling