• Formula : Na3AgO2
  • Space Group : Ibam (72)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.46
    b = 10.9
    c = 5.92
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 100
  • Band gap = 1.173 eV
    Direct Gap = 1.345 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber Oxoargentate(I): Na3 Ag O2,
    Naturwissenschaften 56, 414 (1969)

Band structure with spin-orbit coupling