Avdeev Maxim
Australian Centre for Neutron Scattering, Australian Nuclear Science and Technology Organisation, New Illawarra Road, Lucas Heights, NSW 2234, Australia.
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。
