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On an extension of Krivovichev's complexity measures

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F20%3A00539002" target="_blank" >RIV/68378271:_____/20:00539002 - isvavai.cz</a>

  • Result on the web

    <a href="https://doi.org/10.1107/S2053273320006634" target="_blank" >https://doi.org/10.1107/S2053273320006634</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1107/S2053273320006634" target="_blank" >10.1107/S2053273320006634</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    On an extension of Krivovichev's complexity measures

  • Original language description

    An extension is proposed of the Shannon entropy-based structural complexity measure introduced by Krivovichev, taking into account the geometric coordinational degrees of freedom a crystal structure has. This allows a discrimination to be made between crystal structures which share the same number of atoms in their reduced cells, yet differ in the number of their free parameters with respect to their fractional atomic coordinates. The strong additivity property of the Shannon entropy is used to shed light on the complexity measure of Krivovichev and how it gains complexity contributions due to single Wyckoff positions. Using the same property allows for combining the proposed coordinational complexity measure with Krivovichev's combinatorial one to give a unique quantitative descriptor of a crystal structure's configurational complexity.

  • 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

    2020

  • 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 A-Foundation and Advances

  • ISSN

    2053-2733

  • e-ISSN

  • Volume of the periodical

    76

  • Issue of the periodical within the volume

    July

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    15

  • Pages from-to

    534-548

  • UT code for WoS article

    000546068600009

  • EID of the result in the Scopus database

    2-s2.0-85087411133