千帕的千字节:剑桥结构数据库的高压沉积

M. Kaźmierczak, E. Patyk-Kaźmierczak
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引用次数: 1

摘要

剑桥结构数据库(CSD)是最大的有机和金属有机化合物晶体结构存储库,包含超过110万个条目。超过3300个矿床是在高压下确定的构造,其数量受到高压技术实验要求的强烈影响。尽管如此,它仍然提供了一个足以代表统计数据挖掘的人口。在这项工作中,对这一群体进行了深入的分析,显示了高压沉积的贡献者来自哪里,高压结构发表在哪些期刊上,并提供了高压晶体学的一些趋势信息,以及从CSD收集的数据中阐明的这些年来它们是如何变化的。本文的最终目标是将CSD中的高压晶体学内容带给更广泛的科学家受众。
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Kilobytes of kilopascals: high-pressure depositions of the Cambridge Structural Database
The Cambridge Structural Database (CSD) is the largest repository of crystal structures of organic and metal–organic compounds, containing over 1.1 million entries. Over 3300 of the deposits are structures determined under high pressure, with the number being strongly affected by the experimental requirements of the high-pressure techniques. Nevertheless, it still presents a population sufficiently representative for statistical data mining. In this work, an in-depth analysis of this population is presented, showing where contributors of high-pressure depositions come from, which journals high-pressure structures are published in, and also providing information on some trends in high-pressure crystallography and how they have changed over the years elucidated from data collected in the CSD. The ultimate goal of this article is to bring the high-pressure crystallography content in the CSD to a wider audience of scientists.
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