Composition and structure
StructMatcher
Compare crystal structures, remove duplicates, cross-reference known libraries, and identify novel CIF candidates. The workflow is designed for generated structures, relaxed candidates, and screening against reference databases.
What it is useful for
Use StructMatcher to detect whether two CIFs are structurally identical, cluster duplicate generated materials, compare candidate structures with a reference set, and download unmatched structures for the next screening step.