• Formula : K3W2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 15.14
    b = 11.88
    c = 8.34
    α = 90.0
    β = 138.2
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 166
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.693
    Topological Z2 indices ν = (0;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstrukturen von K3 H (W2 O4 F6) und (N H4)5 (W3 O4 F9) (N H4) F (H2 O),
    Zeitschrift fuer Anorganische und Allgemeine Chemie 437, 175 (1977)

Band structure with spin-orbit coupling