New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
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DOI：
10.1107/s0108768102006948
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发表时间：
2002-06-01
期刊：
影响因子：
--
通讯作者：
Luksch, P
中科院分区：
文献类型：
--
作者：
Belsky, A;Hellenbrandt, M;Luksch, P
科学和工业领域的材料界每天都在使用晶体学数据模型来可视化、解释和预测化学品和材料的行为。获得有关晶体材料结构的可靠信息有助于研究人员将实验工作集中在优化发现过程的方向上。无机晶体结构数据库（ICSD）是一个综合性的数据库，包含了60000多个无机材料的晶体结构条目，由德国卡尔斯鲁厄（FIZ）和美国国家标准与技术研究所（NIST）共同创建。可持续发展国际中心以计算机化格式传播，并配有科学软件工具，以利用数据库的内容。一个新的基于Windows的图形用户界面的ICSD的特点进行了概述，以及未来的发展方向，以支持材料的研究和设计。
The materials community in both science and industry use crystallographic data models on a daily basis to visualize, explain and predict the behavior of chemicals and materials. Access to reliable information on the structure of crystalline materials helps researchers concentrate experimental work in directions that optimize the discovery process. The Inorganic Crystal Structure Database (ICSD) is a comprehensive collection of more than 60 000 crystal structure entries for inorganic materials and is produced cooperatively by Fachin-formationszentrum Karlsruhe (FIZ), Germany, and the US National Institute of Standards and Technology (NIST). The ICSD is disseminated in computerized formats with scientific software tools to exploit the content of the database. Features of a new Windows-based graphical user interface for the ICSD are outlined, together with directions for future development in support of materials research and design.