• Formula : Ag2CO3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.852
    b = 9.553
    c = 3.255
    α = 90.0
    β = 91.96
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 88
  • Band gap = 0.6496 eV
    Direct Gap = 1.356 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure du carbonate d'argent,
    Acta Crystallographica B (24,1968-38,1982) 35, 1428 (1979)

Band structure with spin-orbit coupling