• Formula : ReF7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.5039
    b = 8.5026
    c = 9.0916
    α = 88.513
    β = 93.843
    γ = 89.496
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 128
  • Band gap = 2.1498 eV
    Direct Gap = 2.170 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 78311

Band structure with spin-orbit coupling