• Formula : Rb2MoO4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 12.821
    b = 6.253
    c = 7.842
    α = 90.0
    β = 115.64
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 112
  • Band gap = 3.6232 eV
    Direct Gap = 3.714 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 24904

Band structure with spin-orbit coupling