• Formula : Cd2P3Br
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.077
    b = 9.088
    c = 7.534
    α = 90.0
    β = 100.3
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 92
  • Band gap = 1.0294 eV
    Direct Gap = 1.383 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 100817

Band structure with spin-orbit coupling