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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

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • 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