• Formula : Ag2W2O7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.033
    b = 7.051
    c = 7.735
    α = 73.8
    β = 92.2
    γ = 104.7
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 240
  • Band gap = 1.888 eV
    Direct Gap = 1.951 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal Structures of Silver Dimolybdate, Ag2 Mo2 O7, and Silver Ditungstate, Ag2 W2 O7,
    Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1976, 1316 (1976)

Band structure with spin-orbit coupling