• Formula : InAgO2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.2768
    b = 3.2768
    c = 18.8779
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 36
  • Band gap = 0.352 eV
    Direct Gap = 1.070 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis and crystal structure of Ag In O2,
    Journal of Solid State Chemistry 71, 566 (1987)

Band structure with spin-orbit coupling