TY  - JOUR
T1  - The inorganic crystal structure data base
AU  - Bergerhoff, G.
AU  - Hundt, R.
AU  - Sievers, R.
AU  - Brown, I. D.
Y1  - 1983/05/01
PY  - 1983
DA  - 1983/05/01
N1  - doi: 10.1021/ci00038a003
DO  - 10.1021/ci00038a003
T2  - Journal of Chemical Information and Computer Sciences
JF  - Journal of Chemical Information and Computer Sciences
JO  - J. Chem. Inf. Comput. Sci.
SP  - 66
EP  - 69
VL  - 23
IS  - 2
PB  - American Chemical Society
SN  - 0095-2338
M3  - doi: 10.1021/ci00038a003
UR  - https://doi.org/10.1021/ci00038a003
ER  -

TY  - JOUR
TI  - Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features
AU  - Zagorac, D.
AU  - Muller, H.
AU  - Ruehl, S.
AU  - Zagorac, J.
AU  - Rehme, S.
T2  - Journal of Applied Crystallography
AB  - 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.
DA  - 2019///
PY  - 2019
VL  - 52
IS  - 5
SP  - 918
EP  - 925
UR  - https://doi.org/10.1107/S160057671900997X
KW  - classification
KW  - ICSD
KW  - Inorganic Crystal Structure Database
KW  - standardization
KW  - theoretical structures
ER  -

TY  - JOUR
TI  - The introduction of structure types into the Inorganic Crystal Structure Database ICSD
AU  - Allmann, Rudolf
AU  - Hinek, Roland
T2  - Acta Crystallographica Section A
AB  - Both the approach used and the progress made in the assignment of structure types to the crystal structures contained in the ICSD database are reported. Extending earlier work, an hierarchical set of criteria for the separation of isopointal structures into isoconfigurational structure types is used. It is shown how these criteria, which include the space group (number), Wyckoff sequence and Pearson symbol, c/a ratio, [beta] ranges, ANX formulae and, in certain cases, the necessary elements and forbidden elements, may be used to uniquely identify the representative structure types of the compounds contained in the ICSD database.
DA  - 2007///
PY  - 2007
VL  - 63
IS  - 5
SP  - 412
EP  - 417
UR  - https://doi.org/10.1107/S0108767307038081
KW  - ICSD
KW  - Inorganic Crystal Structure Database
KW  - structure types
ER  - 

TY  - JOUR
TI  - New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
AU  - Belsky, Alec
AU  - Hellenbrandt, Mariette
AU  - Karen, Vicky Lynn
AU  - Luksch, Peter
T2  - Acta Crystallographica Section B
AB  - 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.
DA  - 2002///
PY  - 2002
VL  - 58
IS  - 3 Part 1
SP  - 364
EP  - 369
UR  - https://doi.org/10.1107/S0108768102006948
KW  - ICSD
KW  - Inorganic Crystal Structure Database
KW  - crystal structure data
KW  - materials design
KW  - visualization software
KW  - Windows-based graphical user interface
ER  - 

TY  - JOUR
AU  - Vicky Karen
C2  - World Wide Web-Internet and Web Information Systems
DA  - 2008-10-16 14:10:54
LA  - en
PB  - World Wide Web-Internet and Web Information Systems
PY  - 2008
TI  - NIST 3. NIST Crystal Data
ER  -