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PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals.


ABSTRACT: The atomic structure of quasicrystals (QCs) is described as a section of a higher-dimensional structure that consists of a periodic arrangement of occupation domains (ODs). Determination of the shape of ODs and their partitioning is crucial in the structural analysis of QCs. However, owing to the complicated shape of ODs, building the initial structure model requires a great deal of time and effort. Thus, a computer program for building structure models of QCs is needed. Presented here is a Python3 package for structure modelling of icosahedral QCs.

SUBMITTER: Yamada T 

PROVIDER: S-EPMC8366420 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature

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<i>PyQCstrc.ico</i>: a computing package for structural modelling of icosahedral quasicrystals.

Yamada Tsunetomo T  

Journal of applied crystallography 20210716 Pt 4


The atomic structure of quasicrystals (QCs) is described as a section of a higher-dimensional structure that consists of a periodic arrangement of occupation domains (ODs). Determination of the shape of ODs and their partitioning is crucial in the structural analysis of QCs. However, owing to the complicated shape of ODs, building the initial structure model requires a great deal of time and effort. Thus, a computer program for building structure models of QCs is needed. Presented here is a Pyth  ...[more]

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