• Formula : K2P2Pd
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.355
    b = 13.898
    c = 5.9
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 92
  • Band gap = 0.4933 eV
    Direct Gap = 0.567 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    K2 Pd P2 and K2 Pt As2, two further compounds with a M P2 (As2)-chain-structure,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 36, 1666 (1981)

Band structure with spin-orbit coupling