• Formula : Y2Cl3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 15.144
    b = 3.825
    c = 10.077
    α = 90.0
    β = 118.24
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 86
  • Band gap = 0.7252 eV
    Direct Gap = 0.793 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 23337

Band structure with spin-orbit coupling