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
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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
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
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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