• Formula : KInBr4
  • Space Group : Pnna (52)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.891
    b = 10.39
    c = 10.39
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 200
  • Band gap = 2.8711 eV
    Direct Gap = 2.871 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Potassium Tetrabromoindate(III), K (In Br~4~),
    Acta Crystallographica C (39,1983-) 40, 2006 (1984)

Band structure with spin-orbit coupling