• Formula : CdP2
  • Space Group : P4_32_12 (96)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.283
    b = 5.283
    c = 19.808
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 176
  • Band gap = 1.1046 eV
    Direct Gap = 1.251 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure and absolute configuration of beta-Cd P2,
    Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 17, 69 (1969)

Band structure with spin-orbit coupling