• Formula : Rb4CO4
  • Space Group : R3m (160)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 6.27378
    b = 6.27378
    c = 6.27378
    α = 69.98695
    β = 69.98695
    γ = 69.98695
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 0.472 eV
    Direct Gap = 0.532 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245430

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes