• Formula : ReNClF5
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.964
    b = 8.359
    c = 7.728
    α = 90.0
    β = 124.8
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 124
  • Band gap = 1.9084 eV
    Direct Gap = 1.916 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 33542

Band structure with spin-orbit coupling