• Formula : RbV3O8
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.9864
    b = 8.442
    c = 7.8621
    α = 90.0
    β = 96.064
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 192
  • Band gap = 2.1383 eV
    Direct Gap = 2.277 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 50009

Band structure with spin-orbit coupling