• Formula : Be4TeO7
  • Space Group : F-43m (216)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.577
    b = 7.577
    c = 7.577
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 64
  • Band gap = 1.6716 eV
    Direct Gap = 1.672 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Berylliumtellurat Be4 Te O7,
    Acta Crystallographica B (24,1968-38,1982) 33, 3959 (1977)

Band structure with spin-orbit coupling