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Currently, materials are classified using a very simple labeling (bulk, 2D, surface, etc.) and any further topological data is not supported by the search or shown in the overview. As we are now adding support for MD topologies (given by the parser) and automatically detected topologies (through MatID and the work Thea is pursuing), we need to start thinking about how we deal with much more complex topological data. This issue deals with the first step of handling topological data that focuses on topologies extracted from MD and displaying them in the overview page.

Metainfo:

• Full topologies need to have a place in the archive (implemented by @jrudz).
• Simplified/searchable version of the topology needs metainfo in the results.material.topology

Parsing:

• The MD parsers should be able to output the original topologies (implemented by @jrudz).

Normalization:

• ResultsNormalizer needs to create the topology according to AtomsGroup information stored in the run.

Overview:

• A new type of material card for entries with a topology:
  • Support for browsing through the topology
  • Meaningful visualization of the selected part of the topology (requires significant changes in the
  • Display information about different aspects of the topology within tabs.