• Formula : Nb3AgO8
  • Space Group : Ibam (72)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.343
    b = 10.415
    c = 7.007
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 196
  • Band gap = 1.6519 eV
    Direct Gap = 1.652 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    AgNb3O8-II, eine Hochdruckphase mit neuartiger Tunnelstruktur,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 44, 499 (1989)

Band structure with spin-orbit coupling