• Formula : Tl2CN2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.3383
    b = 6.6255
    c = 9.645
    α = 98.765
    β = 98.685
    γ = 113.178
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 120
  • Band gap = 0.0 eV
    Direct Gap = 0.052 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 417297

Band structure with spin-orbit coupling