• Formula : KSbSe2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 12.481
    b = 6.445
    c = 6.45
    α = 103.16
    β = 99.25
    γ = 99.44
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 104
  • Band gap = 1.4458 eV
    Direct Gap = 1.453 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Darstellung und Struktur von K Sb Se2,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32, 1346 (1977)

Band structure with spin-orbit coupling