• Formula : Rb4CO4
  • Space Group : R3 (146)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.45813
    b = 5.45813
    c = 5.45813
    α = 90.4612
    β = 90.4612
    γ = 90.4612
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 2.8509 eV
    Direct Gap = 2.870 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245437

Band structure with spin-orbit coupling