• Formula : Ag2O3
  • Space Group : Fdd2 (43)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 12.869
    b = 10.49
    c = 3.6638
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 80
  • Band gap = 0.4982 eV
    Direct Gap = 0.687 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung und Kristallstruktur von Ag2 O3,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 535, 39 (1986)

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes