• Formula : CuSe2Cl
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.683
    b = 4.625
    c = 14.552
    α = 90.0
    β = 135.2
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 120
  • Band gap = 0.7697 eV
    Direct Gap = 0.926 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 68292

Band structure with spin-orbit coupling