• Formula : KBiO2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.826
    b = 7.898
    c = 5.972
    α = 90.0
    β = 124.9
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 1.2352 eV
    Direct Gap = 1.245 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur von K Bi O2 sowie zur Kenntnis von Rb Bi O2 und Cs Bi O2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 392, 97 (1972)

Band structure with spin-orbit coupling