• Formula : Na3CrF6
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.4913
    b = 5.7021
    c = 9.6618
    α = 90.0
    β = 125.021
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 166
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.617
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 27070

Band structure with spin-orbit coupling