• Formula : Ba2GeAs2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.757
    b = 9.7
    c = 7.667
    α = 90.0
    β = 106.03
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 136
  • Band gap = 0.5906 eV
    Direct Gap = 0.728 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 35151

Band structure with spin-orbit coupling