Inorganic Crystal Structure Database

ICSD (Inorganic Crystal Structure Database) was founded in 1977 on the initiative of Prof. Bergerhoff (University of Bonn). Since 1985, FIZ Karlsruhe has been involved in the production of the database with various partners; since 2017, FIZ Karlsruhe has been solely responsible for the product. ICSD is the world’s largest database for fully determined inorganic crystal structures and contains the crystallographic data of published crystalline inorganic structures, including atom coordinates, dating back to 1913. Organometallic and theoretical structures have been added within the past years.

ICSD（无机晶体结构数据库，Inorganic Crystal Structure Database）于1977年由波恩大学贝格霍夫教授倡议创立。自1985年起，FIZ Karlsruhe便与多家合作伙伴共同参与该数据库的制作；2017年起，FIZ Karlsruhe全权负责该产品的运营。ICSD是全球规模最大的完全解析无机晶体结构数据库，收录了自1913年以来已发表的结晶态无机结构的晶体学数据，包含原子坐标信息。近年来，该数据库还新增了有机金属化合物结构与理论预测结构。

搜集汇总

背景与挑战

背景概述

ICSD（无机晶体结构数据库）是全球最大的已确定无机晶体结构数据库，由FIZ Karlsruhe负责维护。它收录了自1913年以来已发表的无机晶体结构数据，包括原子坐标，近年来还扩展了有机金属和理论结构。