• Formula : CsRb2PdF5
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.579
    b = 7.579
    c = 6.455
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 160
  • Band gap = 2.3602 eV
    Direct Gap = 2.364 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 35286

Band structure with spin-orbit coupling