• Formula : Ag3O4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.5787
    b = 9.2079
    c = 5.6771
    α = 90.0
    β = 106.135
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 114
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.789
    Topological Z2 indices ν = (1;010)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung und Kristallstruktur von Ag3 O4,
    Journal of Solid State Chemistry 67, 278 (1987)

Band structure with spin-orbit coupling