• Formula : Li2SnTeO6
  • Space Group : Pnn2 (34)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.192
    b = 4.927
    c = 8.513
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 124
  • Band gap = 1.5928 eV
    Direct Gap = 1.593 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 40265

Band structure with spin-orbit coupling