• Formula : SNO4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.83
    b = 8.04
    c = 6.13
    α = 90.0
    β = 95.15
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 140
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.322
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The atomic arrangement in ammonium and caesium persulphate (NH4)2S2O8 and Cs2S2O8, and the structure of the persulphate group,
    Zeitschrift fur Kristallographie 88, 63 (1934)

Band structure with spin-orbit coupling