• Formula : KAs
  • Space Group : Pbcm (57)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 28.3
    b = 11.39
    c = 9.51
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 56
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.542
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallstrukturuntersuchungen an Fluorverbindungen der V. Hauptgruppe zur Kristallstruktur von Kaliummonohydroxopenta fluoroarsenat,
    Zeitschrift fuer Chemie 7, 442 (1967)

Band structure with spin-orbit coupling