• Formula : KAgSe
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.52
    b = 4.52
    c = 7.59
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 52
  • Band gap = 0.4259 eV
    Direct Gap = 0.426 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Beitraege zu den Stabilitaetskriterien des Pb F Cl-typs: Darstellung und Struktur von K Ag Se,
    Journal of the Less-Common Metals 80, 59 (1981)

Band structure with spin-orbit coupling