• Formula : Ba2SiTe4
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.65
    b = 7.626
    c = 7.466
    α = 90.0
    β = 108.9
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 96
  • Band gap = 0.9821 eV
    Direct Gap = 1.021 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 49751

Band structure with spin-orbit coupling