• Formula : K2Cd2O3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.417
    b = 6.723
    c = 6.586
    α = 90.0
    β = 116.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 120
  • Band gap = 0.7106 eV
    Direct Gap = 0.711 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber Oxocadmate: K2 Cd2 O3,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 382, 270 (1971)

Band structure with spin-orbit coupling