On the combinatorics of crystal structures. II. Number of Wyckoff sequences of a given subdivision complexity
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F23%3A00572605" target="_blank" >RIV/68378271:_____/23:00572605 - isvavai.cz</a>
Result on the web
<a href="https://hdl.handle.net/11104/0347686" target="_blank" >https://hdl.handle.net/11104/0347686</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1107/S2053273323002437" target="_blank" >10.1107/S2053273323002437</a>
Alternative languages
Result language
angličtina
Original language name
On the combinatorics of crystal structures. II. Number of Wyckoff sequences of a given subdivision complexity
Original language description
Wyckoff sequences are a way of encoding combinatorial information about crystal structures of a given symmetry. In particular, they offer an easy access to the calculation of a crystal structure’s combinatorial, coordinational and configurational complexity, taking into account the individual multiplicities (combinatorial degrees of freedom) and arities (coordinational degrees of freedom) associated with each Wyckoff position. However, distinct Wyckoff sequences can yield the same total numbers of combinatorial and coordinational degrees of freedom. In this case, they share the same value for their Shannon entropy based subdivision complexity. The enumeration of Wyckoff sequences with this property is a combinatorial problem solved in this work, first in the general case of fixed subdivision complexity but non-specified Wyckoff sequence length, and second for the restricted case of Wyckoff sequences of both fixed subdivision complexity and fixed Wyckoff sequence length.n
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Crystallographica Section A-Foundation and Advances
ISSN
2053-2733
e-ISSN
2053-2733
Volume of the periodical
79
Issue of the periodical within the volume
May
Country of publishing house
GB - UNITED KINGDOM
Number of pages
15
Pages from-to
280-294
UT code for WoS article
000986622400004
EID of the result in the Scopus database
2-s2.0-85159739914