• Formula : K2SnBr6
  • Space Group : P42_12 (90)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.43
    b = 7.43
    c = 10.61
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 148
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.146
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstrukturen von Bromostannaten A Sn Br~6~ (A= Cs, Rb, N H~4~, K ),
    Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100, 265 (1938)

Band structure with spin-orbit coupling