A Comprehensive Survey of Crystal Structural Prototypes: Construction, Classification, and Applications
Crystal structural prototypes describe recurring atomic arrangements across chemically distinct materials. Prototype libraries are built through crystallographic curation, standardization, geometric matching, local-environment clustering, and periodic-graph analysis, and support chemical substitution, derivative enumer...
Jian-Jun Hu, Ying Feng, Rong-Zhi Dong et al.
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