• Formula : MgTeMoO6
  • Space Group : P2_12_12 (18)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.0378
    b = 5.2691
    c = 8.8985
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 132
  • Band gap = 3.1056 eV
    Direct Gap = 3.166 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 184714

Band structure with spin-orbit coupling