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PyQCstrc.ico : a computing package for structural modelling of icosahedral quasicrystals
Author(s) -
Yamada Tsunetomo
Publication year - 2021
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576721005951
Subject(s) - icosahedral symmetry , quasicrystal , computer science , section (typography) , materials science , computational science , crystal structure , crystallography , chemistry , operating system
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.