• Formula : SrMnBi2
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.58
    b = 4.58
    c = 23.13
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 110
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.858
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung und Kristallstruktur von Ba Mn Sb2, Sr Mn Bi2 und Ba Mn Bi2,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32, 383 (1977)

Band structure with spin-orbit coupling