• Formula : RbTa(PO4)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.61
    b = 5.2156
    c = 8.42
    α = 90.0
    β = 93.18
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 80
  • Band gap = 3.5625 eV
    Direct Gap = 3.682 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 54098

Band structure with spin-orbit coupling