• Formula : Cu2Ag2O3
  • Space Group : I4_1/amd (141)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.8978
    b = 5.8978
    c = 10.714
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 124
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.587
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-pressure synthesis and electrochemical investigation of Ag2 Cu2 O3,
    Journal of Solid State Chemistry 158, 82 (2001)

Band structure with spin-orbit coupling