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MatID is a Python package for identifying and analyzing atomistic systems based on their structure.

Symmetry-based Clustering

MatID contains a novel clustering approach called Symmetry-based Clustering (SBC) that can be used to identify meaningful components from atomistic systems.

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Symmetry Analysis

MatID contains several symmetry routines for analyzing structures. The basic features are based on the excellent spglib library, but with an extended feature set that makes MatID unique.

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Powering identification in NOMAD

MatID is being developed at FAIRmat and is powering the automated analysis of structures at scale in the NOMAD platform.

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