GetCrystalMetric

GetCrystalMetric[{a,b,c,α,β,γ}]
returns the metric for the given lattice parameters a,b,c,α,β,γ.

GetCrystalMetric[crystal]
returns the metric for crystal.

Details and OptionsDetails and Options

  • The metric matrix contains all the information of the lattice.
  • Lattice parameters given directly may be numeric or quantities.
  • crystal must exist in $CrystalData.
  • If any of the interaxial angles (α,β,γ) have a numeric value greater than , the angles are assumed to be given in degrees.
  • Available option:
  • "Space""Direct"return values for "Direct" or "Reciprocal" space
    "ToCartesian"Falsewhether to return the transformation matrix to a Cartesian base
  • The output resulting from "ToCartesian"True are the corresponding Cartesian basis vectors of the unit cell, as column vectors .

ExamplesExamplesopen allclose all

Basic Examples  (4)Basic Examples  (4)

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The volume of the unit cell can be easily calculated (unit: ):

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