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Q: High throughput tool to quantify the similarity of crystal structures?

Achintha IhalageQuantifying the similarity of crystal structures is important to understand and predict the properties of less-studied crystals. For example, the inorganic crystal structure database (ICSD) contains over 200,000 crystal structures and most crystal structures are labelled with a "structure type" i...

crystal-structure crystallography materials-design pymatgen
 
 
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