• Formula : Li2MgBr4
  • Space Group : Cmmm (65)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.7794
    b = 11.0425
    c = 3.8655
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 44
  • Band gap = 4.4109 eV
    Direct Gap = 4.411 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 73276

Band structure with spin-orbit coupling