Inorganic Crystal Structure Database (ICSD): A Comprehensive Resource for Crystallography
The Inorganic Crystal Structure Database (ICSD) serves as a cornerstone for researchers in chemistry and materials science. By providing a centralized repository of structural data, it allows scientists to analyze the spatial arrangement of atoms in inorganic materials, which is critical for understanding the physical and chemical properties of matter.
The Origins and Evolution of ICSD
Founded in 1978, the ICSD was the result of a collaborative effort between Günter Bergerhoff at the University of Bonn in Germany and I. D. Brown at McMaster University in Canada. Since its inception, the database has grown from a specialized collection into a global standard for crystallographic data.
Today, the production and maintenance of the database are managed by FIZ Karlsruhe in Europe and the U.S. National Institute of Standards and Technology (NIST).
Scope and Content
The primary objective of the ICSD is to archive information on all inorganic crystal structures published since 1913. This vast scope ensures that researchers have access to historical data as well as modern discoveries. The database includes a wide array of materials, such as:
- Pure elements: Basic chemical substances consisting of a single element.
- Minerals: Naturally occurring inorganic solids.
- Metals: Elements characterized by high electrical conductivity and malleability.
- Intermetallic compounds: Solid-state phases composed of two or more metallic elements.
Crucially, these entries include atomic coordinates, which define the exact position of atoms within the crystal lattice, enabling precise structural modeling and simulation.
[ไม่มีภาพประกอบ]Database Scale and Accessibility
As of August 2025, the ICSD contains over 318,000 entries. To ensure the data remains current, the database is updated twice a year, incorporating the latest peer-reviewed publications from around the world.
To accommodate different research workflows, the ICSD is available through multiple platforms. A Windows-based PC version was developed in cooperation with NIST, while a web-based version utilizing PHP-MySQL was created in collaboration with the Institut Laue–Langevin (ILL) in Grenoble.
| Feature | Details |
|---|---|
| Founded | 1978 |
| Founders | Günter Bergerhoff & I. D. Brown |
| Current Producers | FIZ Karlsruhe & NIST |
| Total Entries | Over 318,000 (as of August 2025) |
| Update Frequency | Twice per year |
| Data Range | Structures published since 1913 |
Key Facts
- The ICSD archives inorganic crystal structures dating back to 1913.
- It contains more than 318,000 entries as of August 2025.
- The database provides essential atomic coordinates for elements, minerals, metals, and intermetallic compounds.
- It is maintained by FIZ Karlsruhe and the U.S. National Institute of Standards and Technology (NIST).
- Updates are released twice annually.
Frequently Asked Questions
What is the primary purpose of the ICSD?
The ICSD aims to collect and provide access to all published inorganic crystal structure data, including atomic coordinates, for materials such as minerals, metals, and pure elements.
Who manages the database currently?
The database is currently produced by FIZ Karlsruhe in Europe and the National Institute of Standards and Technology (NIST) in the United States.
How often is the ICSD updated?
The database is updated twice every year to include the most recent structural data published in scientific literature.
What types of software versions are available for accessing the ICSD?
Users can access the database via a Windows-based PC version (developed with NIST) or a PHP-MySQL web-based version (developed with the Institut Laue–Langevin).
What specific materials are included in the database?
The ICSD includes data on pure elements, minerals, metals, and intermetallic compounds.