The DOI matches its Crossref record.
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
Abstract
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 Fachinformationszentrum 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.
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Experimental approaches over decades have catalogued 20,000 computationally stable structures out of 200,000 entries in the Inorganic Crystal Structure Database.
“Experimental approaches over the decades have catalogued 20,000 computationally stable structures (out of a total of 200,000 entries) in the Inorganic Crystal Structure Database (ICSD)15,18.”
From Scaling deep learning for materials discovery (2023) · cites this paper as [18]
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Metadata
- Authors
- Belsky, A., Hellenbrandt, M., Karen, V. L., & Luksch, P.
- Affiliations
- National Institute of Standards and Technology (US)
- FIZ Karlsruhe – Leibniz Institute for Information Infrastructure (DE)
- Venue
- Acta Crystallographica Section B Structural Science
- Published
- 2002-05-29
- Volume
- 58
- Issue
- 3
- Pages
- 364-369
- ISSN
- 0108-7681 (ISSN-L)
- OpenAlex
- W2112845989
- Cited by
- 1,379
- References
- 0
- Citations by year
- 2026: 74 · 2025: 101 · 2024: 120 · 2023: 113 · 2022: 116 · 2021: 93 · 2020: 134 · 2019: 124 · 2018: 91 · 2017: 72 · 2016: 70 · 2015: 61 · 2014: 55 · 2013: 30 · 2012: 29
- FWCI
- 3.47
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- Locations
- Acta Crystallographica Section B Structural Science (publishedVersion)
- PubMed (publishedVersion)
- Acta Crystallographica Section B Structural Science
- Topics
- Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
- Physical Sciences › Chemistry › Inorganic Chemistry › Crystal structures of chemical compounds
- Physical Sciences › Materials Science › Electronic, Optical and Magnetic Materials › Crystal Structures and Properties
- Keywords
- Inorganic Crystal Structure Database, crystallographic data, inorganic materials, database accessibility, graphical user interface, materials discovery
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