• Formula : Cd3(BO3)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.1114
    b = 6.1463
    c = 7.4232
    α = 76.521
    β = 80.73
    γ = 82.461
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 156
  • Band gap = 1.7867 eV
    Direct Gap = 2.021 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 427222

Band structure with spin-orbit coupling