On the combinatorics of crystal structures: number of Wyckoff sequences of given length
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F22%3A00555936" target="_blank" >RIV/68378271:_____/22:00555936 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1107/S2053273321013565" target="_blank" >https://doi.org/10.1107/S2053273321013565</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1107/S2053273321013565" target="_blank" >10.1107/S2053273321013565</a>
Alternative languages
Result language
angličtina
Original language name
On the combinatorics of crystal structures: number of Wyckoff sequences of given length
Original language description
A formula for the calculation of the number of Wyckoff sequences of a given length is presented, based on the combinatorics of multisets with finite multiplicities and a generating function approach, assuming a certain spacegroup type and taking into account the number of non-fixed and fixed Wyckoff positions, respectively. The formula is applied to the 44 distinguishable combinatorial types of the 230 space-group types. A comparison is made between the calculated frequencies of occurrence ofWyckoff sequences of given space-group type and length and the observed ones for actual crystal structures , as retrieved from the Pearson's Crystal Data Crystal Structure Database for Inorganic Compounds.
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
<a href="/en/project/GA18-10438S" target="_blank" >GA18-10438S: Quantitative Structure Descriptors for Standard and Modulated Crystals: Crystal Structure Systematics, Interpretation, and Prediction</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
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
78
Issue of the periodical within the volume
Mar.
Country of publishing house
GB - UNITED KINGDOM
Number of pages
6
Pages from-to
149-154
UT code for WoS article
000763571200006
EID of the result in the Scopus database
2-s2.0-85125553554