• Formula : RbNbO3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.87
    b = 8.39
    c = 5.11
    α = 94.6
    β = 93.5
    γ = 113.9
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 160
  • Band gap = 3.6791 eV
    Direct Gap = 3.683 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Koordinationszahl 5 bei Rb Nb O3: Eine Pyrgomstruktur,
    Naturwissenschaften 66, 50 (1979)

Band structure with spin-orbit coupling