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bobleesj committed Nov 10, 2024
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title: "cifkit: A Python package for coordination geometry and atomic site analysis"
title:
"cifkit: A Python package for coordination geometry and atomic site analysis"
tags:
- Python
- CIF
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# Applications

`cifkit` has been used for research conducted at academic and national
laboratories for crystal structural analysis and machine learning studies.
CIF Bond Analyzer (CBA) utilizes `cifkit` to extract coordination
geometry information for newly a discovered phase [@tyvanchuk_crystal_2024]. The
laboratories for crystal structural analysis and machine learning studies. CIF
Bond Analyzer (CBA) utilizes `cifkit` to extract coordination geometry
information for newly a discovered phase [@tyvanchuk_crystal_2024]. The
Structure Analysis/Featurizer (SAF) employs `cifkit` to construct and extract
physics-based geometric features for binary and ternary compounds
[@jaffal_composition_2024]. Furthermore, geometric features generated with
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