• Formula : RbP(HO2)2
  • Space Group : Fdd2 (43)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 10.696
    b = 10.794
    c = 7.26
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 0.027 eV
    Metallicity = 0.134
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 69318

Band structure with spin-orbit coupling

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