• Formula : RbSbSe2
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.68
    b = 6.744
    c = 12.792
    α = 102.65
    β = 99.46
    γ = 104.64
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 104
  • Band gap = 0.0 eV
    Direct Gap = 0.017 eV
    Metallicity = 0.026
    Topological Z2 indices ν = (0;101)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 602244

Band structure with spin-orbit coupling

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