晶体学原型的AFLOW库
The AFLOW Library of Crystallographic Prototypes
摘要:
一个容易获得的常见晶体结构的资源是研究人员,教师和学生必不可少的。多年来,这是由美国海军研究实验室的$Crystal\ Lattice\ Structures$网页提供的,该网页包含近300种晶体结构,包括大多数被命名为$Strukturbericht$的晶体结构。本文介绍了该数据库的更新版本,现在包括92个空间组的288个标准化结构。与之前网页上提供的内容类似,我们提供了每个结构的完整描述,包括原始向量的公式,所有基向量以及用于生成标准化单元的AFLOW命令。我们还提出了一个简短的讨论的晶体系统,空间群,原始和常规的晶格,Wyckoff位置,皮尔逊符号和$Strukturbericht$命名。
英文摘要:
An easily available resource of common crystal structures is essential for researchers, teachers, and students. For many years this was provided by the U.S. Naval Research Laboratory's $Crystal\ Lattice\ Structures$ web page, which contained nearly 300 crystal structures, including a majority of those which were given $Strukturbericht$ designations. This article presents the updated version of the database, now including 288 standardized structures in 92 space groups. Similar to what was available on the web page before, we present a complete description of each structure, including the formulas for the primitive vectors, all of the basis vectors, and the AFLOW commands to generate the standardied cells. We also present a brief discussion of crystal systems, space groups, primitive and conventional lattices, Wyckoff positions, Pearson symbols and $Strukturbericht$ designations.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。