• Formula : ReI3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 9.234
    b = 11.309
    c = 8.799
    α = 90.0
    β = 110.25
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 216
  • Band gap = 0.7756 eV
    Direct Gap = 0.780 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 25114

Band structure with spin-orbit coupling