• Formula : Cd2P3Cl
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.969
    b = 8.984
    c = 7.554
    α = 90.0
    β = 100.8
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 92
  • Band gap = 1.2195 eV
    Direct Gap = 1.493 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 100818

Band structure with spin-orbit coupling