• Formula : CsTeSe3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.436
    b = 6.771
    c = 13.489
    α = 90.0
    β = 95.55
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 132
  • Band gap = 0.9985 eV
    Direct Gap = 1.018 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 84993

Band structure with spin-orbit coupling