• Formula : Ca(CdP)2
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.277
    b = 4.277
    c = 7.031
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 44
  • Band gap = 0.8743 eV
    Direct Gap = 0.874 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A B2 X2 - Verbindungen im Ca Al2 Si2-Typ. III. Zur Struktur der Verbindungen Ca Zn2 P2, Ca Cd2 P2, Ca Zn2 As2 und Ca Cd2 As2.,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32, 753 (1977)

Band structure with spin-orbit coupling