Search for missing symmetry in the Inorganic Crystal Structure Database (ICSD).
Inorganic Crystal Structure Database (ICSD)
centrosymmetric structures
space groups
symmetry
Journal
Acta crystallographica Section B, Structural science, crystal engineering and materials
ISSN: 2052-5206
Titre abrégé: Acta Crystallogr B Struct Sci Cryst Eng Mater
Pays: England
ID NLM: 101609037
Informations de publication
Date de publication:
01 Oct 2024
01 Oct 2024
Historique:
medline:
25
9
2024
pubmed:
25
9
2024
entrez:
25
9
2024
Statut:
aheadofprint
Résumé
An exhaustive search for missing symmetry was performed for 223 076 entries in the ICSD (2023-2 release). Approximately 0.65% of them can be described with higher symmetry than reported. Out of the identified noncentrosymmetric entries, ∼74% can be described by centrosymmetric space groups; this has implications for compatible physical properties. It is proposed that the information on the correct space group is included in the ICSD.
Identifiants
pubmed: 39320312
pii: S2052520624008229
doi: 10.1107/S2052520624008229
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Informations de copyright
open access.