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Local structure order parameters and site fingerprints for quantification of coordination environment and crystal structure similarity
Structure characterization and classification is frequently based on local environment information of all or selected atomic sites in the crystal structure. Therefore, reliable and robust procedures to find coordinated neighbors and to evaluate the resulting coordination pattern (e.g., tetrahedral,...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049235/ https://www.ncbi.nlm.nih.gov/pubmed/35497431 http://dx.doi.org/10.1039/c9ra07755c |