在无机晶体结构数据库（ICSD）中搜索缺失的对称性。
Search for missing symmetry in the Inorganic Crystal Structure Database (ICSD).
作者信息
Avdeev Maxim
机构信息
Australian Centre for Neutron Scattering, Australian Nuclear Science and Technology Organisation, New Illawarra Road, Lucas Heights, NSW 2234, Australia.
出版信息
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2024 Oct 1;80(Pt 5):451-455. doi: 10.1107/S2052520624008229. Epub 2024 Sep 17.
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.
对ICSD（2023 - 2版本）中的223076条记录进行了关于缺失对称性的详尽搜索。其中约0.65%的记录可以用比报告中更高的对称性来描述。在已识别的非中心对称条目中，约74%可以用中心对称空间群来描述；这对兼容的物理性质有影响。建议将正确空间群的信息纳入ICSD。
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