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説明:

A computer algorithm to search the symmetries of crystal structures, as imple- mented in the spglib code, is described. An iterative algorithm is employed to robustly identify space group types, tolerating a certain amount of distortion in the crystal structures. The source code is distributed under the 3-Clause BSD License, a permissive open-source software license. This paper focuses on the algorithm for identifying the space group symmetry of the crystal structures.

権利情報:

• Creative Commons BY Attribution 4.0 International
  

キーワード: Space group

刊行年月日: 2024-12-31

出版者: Informa UK Limited

掲載誌:

• Science and Technology of Advanced Materials: Methods (ISSN: 27660400) vol. 4 issue. 1

研究助成金:

• JSPS KAKENHI JP21K04632
• JSPS KAKENHI JP24K08021

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.1080/27660400.2024.2384822

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更新時刻: 2024-11-12 16:30:24 +0900

MDRでの公開時刻: 2024-11-12 16:30:25 +0900