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Use spglib WASM module for fast frontend structure information #14

@Bud-Macaulay

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@Bud-Macaulay

Adding here as a note that I have already done something similar:

I've recently added spglib to the frontend of aiida-explorer StructureDataVisualiser. It seems fairly easy to use and might be a nice way to render advanced cell symmetry information.

Currently, there is a lattice - params switch on the Structural details section, but this could be extended easily, using spglib.

Could also have additional information:

  • wyckoff positions,
  • symmetry operations
  • prim <-> conv conversion mappings
  • on site symmetry

primitive <-> conventional <-> actual cell information.
perhaps this would be a good thing to consider implementing as download buttons/rendering in the structure visualiser, aswell...

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