• Formula : Ag2SO3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.6507
    b = 7.891
    c = 11.173
    α = 90.0
    β = 120.7
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 184
  • Band gap = 2.6768 eV
    Direct Gap = 2.738 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of silver sulphite,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 23, 2261 (1969)

Band structure with spin-orbit coupling