• Formula : Mg3Si2O9
  • Space Group : P31m (157)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.333
    b = 5.333
    c = 7.324
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.785
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 360 C,
    The Canadian Mineralogist 36, 1587 (1998)

Band structure with spin-orbit coupling