• Formula : Ni2Ag3O4
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.9331
    b = 2.9331
    c = 28.313
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 154
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.975
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ag3 Ni2 O4: A new stage-2 intercalation compound of 2H-Ag Ni O2 and physical properties of 2H-Ag Ni O2 above ambient temperature,
    Journal of Solid State Chemistry 180, 8 (2007)

Band structure with spin-orbit coupling