• Formula : RbCdAg3(CN)6
  • Space Group : P312 (149)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.151
    b = 7.151
    c = 8.1758
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 108
  • Band gap = 2.6898 eV
    Direct Gap = 2.690 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 75503

Band structure with spin-orbit coupling