Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features
University of Belgrade · FIZ Karlsruhe – Leibniz Institute for Information Infrastructure
Abstract
The Inorganic Crystal Structure Database (ICSD) is the world's largest database of fully evaluated and published crystal structure data, mostly obtained from experimental results. However, the purely experimental approach is no longer the only route to discover new compounds and structures. In the past few decades, numerous computational methods for simulating and predicting structures of inorganic solids have emerged, creating large numbers of theoretical crystal data. In order to take account of these new developments the scope of the ICSD was extended in 2017 to include theoretical structures which are published in peer-reviewed journals. Each theoretical structure has been carefully evaluated, and the…
Citation impact
- FWCI
- 12.76
- Percentile
- 100%
- References
- 61
Authors
5- DZDejan ZagoracCorresponding
University of Belgrade
- HMHeimo Müller
FIZ Karlsruhe – Leibniz Institute for Information Infrastructure
- SRS. Ruehl
FIZ Karlsruhe – Leibniz Institute for Information Infrastructure
- JZJelena Zagorac
University of Belgrade
- SRSilke Rehme
FIZ Karlsruhe – Leibniz Institute for Information Infrastructure
Topics & keywords
- Crystal structure
- Scope (computer science)
- Computer science
- Database
- Data structure
- Crystal (programming language)
- Data mining
- Crystallography