Computing maximal subgroups and Wyckoff positions of space groups.

DOI10.1107/S0108767397003462MaRDI QIDQ3566881zbMATH OpenOpenAlexWikidataFDO

Authors B. Eick, Franz Gähler, Werner Nickel

Publication date 10 June 2010

Published in Acta Crystallographica Section A Foundations of Crystallography (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1107/s0108767397003462

zbMATH Keywords

algorithmsconjugacy classes of maximal subgroupsspace groups

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to group theory (20-04) Maximal subgroups (20E28) Other geometric groups, including crystallographic groups (20H15) Symbolic computation and algebraic computation (68W30) Statistical mechanics of crystals (82D25)

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Cited in

(7)

• Integral cohomology of rational projection method patterns
• Computing the maximal subgroups of a permutation group. I
• Coset decompositions of space groups: applications to domain structure analysis.
• Derivation of Wyckoff positions of N-dimensional space groups. Theoretical considerations
• Orbit Computation for Atomically Generated Subgroups of Isometries of $\mathbb{Z}^n$
• On the combinatorics of crystal structures: number of Wyckoff sequences of given length
• Crystallography, group cohomology, and Lieb-Schultz-Mattis constraints

Describes a project that uses

Uses Software

• GAP

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