• Formula : Na2CrH2F8
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.395
    b = 7.947
    c = 5.386
    α = 90.0
    β = 115.247
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.022 eV
    Metallicity = 0.124
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 418677

Band structure with spin-orbit coupling