• Formula : MgW
  • Space Group : Pmma (51)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.68
    b = 5.66
    c = 4.92
    α = 90.0
    β = 89.67
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 48
  • Band gap = 0.0 eV
    Direct Gap = 0.094 eV
    Metallicity = 0.191
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Untersuchungen ueber Kristallstrukturen des Wolframittypus und des Scheelittypus _cod_database_code 1010642,
    Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1, 1 (1929)

Band structure with spin-orbit coupling