• Formula : NaCdAs
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.576
    b = 4.471
    c = 8.044
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 104
  • Band gap = 0.0 eV
    Direct Gap = 0.018 eV
    Metallicity = 0.009
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Na Cd As und Tl Cd Sb, ternaere Verbindungen mit modifizierter anti-Pb Cl2-Struktur,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34, 1686 (1979)

Band structure with spin-orbit coupling