• Formula : CsSc3(CuTe3)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 17.7763
    b = 4.142
    c = 10.3351
    α = 90.0
    β = 113.032
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 100
  • Band gap = 0.0 eV
    Direct Gap = 0.319 eV
    Metallicity = 0.067
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 417411

Band structure with spin-orbit coupling