• Formula : RbTaGeS5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.996
    b = 7.033
    c = 8.985
    α = 70.33
    β = 78.12
    γ = 75.63
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 112
  • Band gap = 0.6998 eV
    Direct Gap = 0.708 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 417874

Band structure with spin-orbit coupling