• Formula : Cd3As2
  • Space Group : Pnnn (48)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.82
    b = 5.52
    c = 11.46
    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 = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.387
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

Band structure with spin-orbit coupling