Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features
1
Technicum Scientific Publishing, Stuttgart, Germany
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Publication type: Journal Article
Publication date: 2019-09-23
scimago Q1
wos Q1
SJR: 1.183
CiteScore: 8.5
Impact factor: 2.8
ISSN: 00218898, 16005767
PubMed ID:
31636516
General Biochemistry, Genetics and Molecular Biology
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 resulting CIF has been extended and standardized. Furthermore, a first classification of theoretical data in the ICSD is presented, including additional categories used for comparison of experimental and theoretical information.
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Metrics
535
Total citations:
535
Citations from 2025:
205
(38.61%)
The most citing journal
Citations in journal:
21
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GOST
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Zagorac D. et al. Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features // Journal of Applied Crystallography. 2019. Vol. 52. No. 5. pp. 918-925.
GOST all authors (up to 50)
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Zagorac D., Müller H., Ruehl S., Zagorac J., Rehme S. Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features // Journal of Applied Crystallography. 2019. Vol. 52. No. 5. pp. 918-925.
Cite this
RIS
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TY - JOUR
DO - 10.1107/s160057671900997x
UR - https://doi.org/10.1107/s160057671900997x
TI - Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features
T2 - Journal of Applied Crystallography
AU - Zagorac, D.
AU - Müller, H
AU - Ruehl, S.
AU - Zagorac, J.
AU - Rehme, S.
PY - 2019
DA - 2019/09/23
PB - International Union of Crystallography (IUCr)
SP - 918-925
IS - 5
VL - 52
PMID - 31636516
SN - 0021-8898
SN - 1600-5767
ER -
Cite this
BibTex (up to 50 authors)
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@article{2019_Zagorac,
author = {D. Zagorac and H Müller and S. Ruehl and J. Zagorac and S. Rehme},
title = {Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features},
journal = {Journal of Applied Crystallography},
year = {2019},
volume = {52},
publisher = {International Union of Crystallography (IUCr)},
month = {sep},
url = {https://doi.org/10.1107/s160057671900997x},
number = {5},
pages = {918--925},
doi = {10.1107/s160057671900997x}
}
Cite this
MLA
Copy
Zagorac, D., et al. “Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features.” Journal of Applied Crystallography, vol. 52, no. 5, Sep. 2019, pp. 918-925. https://doi.org/10.1107/s160057671900997x.