• Formula : Ag7NO8
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.87
    b = 9.87
    c = 9.87
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 130
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.534
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Ag7 N O11,
    Zhurnal Fizicheskoi Khimii 22, 1284 (1948)

Band structure with spin-orbit coupling