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New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research
Alec Belsky1, Mariette Hellenbrandt, Vicky Lynn Karen
1National Institute of Standards and Technology, Gaithersburg, Maryland 208999-8520, USA.
Summary
The Inorganic Crystal Structure Database (ICSD) provides crucial crystallographic data for over 60,000 inorganic materials. This resource aids scientists in predicting material behavior and optimizing experimental research.
Area of Science:
- Materials Science
- Crystallography
- Solid-State Chemistry
Background:
- Crystallographic data models are essential for materials science and industry.
- Access to reliable crystal structure information accelerates materials discovery and research.
- The Inorganic Crystal Structure Database (ICSD) is a key resource for inorganic materials.
Purpose of the Study:
- To outline the features of a new Windows-based graphical user interface for the ICSD.
- To present future development directions for the ICSD to support materials research and design.
Main Methods:
- Utilizing the Inorganic Crystal Structure Database (ICSD) containing over 60,000 crystal structure entries.
- Developing and presenting a new Windows-based graphical user interface (GUI) for database interaction.
- Describing cooperative production by Fachinformationszentrum Karlsruhe (FIZ) and the US National Institute of Standards and Technology (NIST).
Main Results:
- The ICSD is a comprehensive collection of inorganic crystal structure data.
- The database is disseminated in computerized formats with scientific software tools.
- A new Windows-based GUI for the ICSD has been developed.
Conclusions:
- The ICSD is a vital tool for materials scientists and researchers.
- The new GUI enhances usability and accessibility of crystallographic data.
- Future developments aim to further support materials research and design through improved database features.