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crystIT: complexity and configurational entropy of crystal structures via information theory

The information content of a crystal structure as conceived by information theory has recently proved an intriguing approach to calculate the complexity of a crystal structure within a consistent concept. Given the relatively young nature of the field, theory development is still at the core of ongo...

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Pubblicato in:J Appl Crystallogr
Autori principali: Kaußler, Clemens, Kieslich, Gregor
Natura: Artigo
Lingua:Inglês
Pubblicazione: International Union of Crystallography 2021
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7941303/
https://ncbi.nlm.nih.gov/pubmed/33833655
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S1600576720016386
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