• Formula : AgCO2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.4603
    b = 6.1972
    c = 9.548
    α = 90.0
    β = 103.47
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 108
  • Band gap = 2.5594 eV
    Direct Gap = 2.628 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Silver Oxalate, Ag~2~C~2~O~4~,
    Acta Crystallographica Section C 51, 60 (1995)

Band structure with spin-orbit coupling