• Formula : Ag2SO4
  • Space Group : Fddd (70)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.796
    b = 12.667
    c = 10.2238
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 104
  • Band gap = 1.3024 eV
    Direct Gap = 1.399 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO,
    Journal of Solid State Chemistry 89, 184 (1990)

Band structure with spin-orbit coupling