• Formula : AgO
  • Space Group : I4_1/a (88)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.833
    b = 6.833
    c = 9.122
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 136
  • Band gap = 0.2151 eV
    Direct Gap = 0.469 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure and magnetic properties of tetragonal silver(I,III) oxide, Ag O,
    Journal of Solid State Chemistry 65, 225 (1986)

Band structure with spin-orbit coupling