• Formula : Sr2MgTeO6
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.6102
    b = 5.5944
    c = 7.9045
    α = 90.0
    β = 89.998
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 72
  • Band gap = 2.8585 eV
    Direct Gap = 2.859 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 290893

Band structure with spin-orbit coupling