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  • Installation
  • User Guide
  • API reference
  • Release notes
  • Contributor`s guide
  • How to cite us?
  • Support
  • Twitter
  • GitHub
  • PyPI

Section Navigation

Core elements

  • Cell
  • Lattice
  • Bravais lattices
  • Kpoints
  • Atom
  • Crystal
    • wulfric.Crystal
      • wulfric.Crystal.add_atom
      • wulfric.Crystal.copy
      • wulfric.Crystal.cure_negative
      • wulfric.Crystal.find_primitive_cell
      • wulfric.Crystal.get_atom
      • wulfric.Crystal.get_atom_coordinates
      • wulfric.Crystal.get_distance
      • wulfric.Crystal.get_vector
      • wulfric.Crystal.remove_atom
      • wulfric.Crystal.shift_atoms
      • wulfric.Crystal.standardize
      • wulfric.Crystal.type
      • wulfric.Crystal.voronoi_cell
      • wulfric.Crystal.C_matrix
      • wulfric.Crystal.S_matrix
      • wulfric.Crystal.a
      • wulfric.Crystal.a1
      • wulfric.Crystal.a2
      • wulfric.Crystal.a3
      • wulfric.Crystal.alpha
      • wulfric.Crystal.angle_tol
      • wulfric.Crystal.b
      • wulfric.Crystal.b1
      • wulfric.Crystal.b2
      • wulfric.Crystal.b3
      • wulfric.Crystal.beta
      • wulfric.Crystal.c
      • wulfric.Crystal.cell
      • wulfric.Crystal.centring_type
      • wulfric.Crystal.conv_a
      • wulfric.Crystal.conv_a1
      • wulfric.Crystal.conv_a2
      • wulfric.Crystal.conv_a3
      • wulfric.Crystal.conv_alpha
      • wulfric.Crystal.conv_b
      • wulfric.Crystal.conv_beta
      • wulfric.Crystal.conv_c
      • wulfric.Crystal.conv_cell
      • wulfric.Crystal.conv_gamma
      • wulfric.Crystal.conv_parameters
      • wulfric.Crystal.conv_unit_cell_volume
      • wulfric.Crystal.convention
      • wulfric.Crystal.crystal_family
      • wulfric.Crystal.eps
      • wulfric.Crystal.eps_rel
      • wulfric.Crystal.gamma
      • wulfric.Crystal.k_a
      • wulfric.Crystal.k_alpha
      • wulfric.Crystal.k_b
      • wulfric.Crystal.k_beta
      • wulfric.Crystal.k_c
      • wulfric.Crystal.k_gamma
      • wulfric.Crystal.kpoints
      • wulfric.Crystal.lattice
      • wulfric.Crystal.name
      • wulfric.Crystal.parameters
      • wulfric.Crystal.pearson_symbol
      • wulfric.Crystal.rcell
      • wulfric.Crystal.reciprocal_cell
      • wulfric.Crystal.reciprocal_cell_volume
      • wulfric.Crystal.reciprocal_parameters
      • wulfric.Crystal.unit_cell_volume
      • wulfric.Crystal.variation
    • wulfric.Crystal.standardize

Supplementary elements

  • identify
  • io
  • geometry
  • numerical
  • decorate
  • constants
  • exceptions

Plotting

  • PlotlyBackend
  • MatplotlibBackend
  • API reference
  • Crystal
  • wulfric.Crystal
  • wulfric.Crystal.C_matrix

wulfric.Crystal.C_matrix#

property

property Crystal.C_matrix#

Transformation matrix that transforms primitive cell (Lattice.cell()) to the conventional standardized cell.

See Conventional vs primitive cell (Setyawan and Curtarolo) for details.

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wulfric.Crystal.voronoi_cell

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wulfric.Crystal.S_matrix

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