User guides

This page highlights some of the features of crystals. In case anything is unclear, raising an issue would be appreciated.

• User guide: crystals and lattices
  • Constructing a Crystal object
  • Constructing a Crystal object by hand
  • Converting a Crystal to other formats
  • Crystal attributes
  • Lattice vectors and reciprocal space
  • Space-group Information
  • Symmetry operations
  • Grouping atoms by site-symmetry
  • Cell refinements and manipulations
  • Scattering utilities
  • Supercells
  • Compatibility with ASE
• User guide: atoms and elements
  • Atomic distances
  • The Element class
  • Handling the atomic orbital structure of atoms
• User guide: indexing reflections
  • General purpose direct indexing with DirAx
  • Other indexing methods

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