• Formula : AgBiO3
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.641
    b = 5.641
    c = 16.118
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0 eV
    Direct Gap = 0.018 eV
    Metallicity = 0.126
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis of new ilmenite-type oxides, Ag M O3 (M = Sb, Si) by ion-exchange reaction,
    Special Publication - Royal Society of Chemistry 239, 212 (1999)

Band structure with spin-orbit coupling