• Formula : Ag2O
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.072
    b = 3.072
    c = 4.941
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 28
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.333
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    About the new modification of Ag2 O with layered structure,
    Doklady Akademii Nauk SSSR 152, 853 (1963)

Band structure with spin-orbit coupling