• Formula : CsK2
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.065
    b = 9.065
    c = 14.755
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.660
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Neue Verbindungen zwischen Kalium und Caesium,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 419, 253 (1976)

Band structure with spin-orbit coupling