• Formula : CuAgO2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.0756
    b = 2.8088
    c = 5.8728
    α = 90.0
    β = 107.987
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 34
  • Band gap = 0.0 eV
    Direct Gap = 0.165 eV
    Metallicity = 0.014
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure redetermination and high pressure behaviour of Ag Cu O2,
    Journal of Alloys Compd. 338, 99 (2002)

Band structure with spin-orbit coupling