• Formula : MnBiS2Br
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.7668
    b = 3.9468
    c = 9.5738
    α = 90.0
    β = 90.873
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 98
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.294
    Topological Z2 indices ν = (1;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 415307

Band structure with spin-orbit coupling