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New Developments In The Inorganic Crystal Structure Database (ICSD): Accessibility In Support Of Materials Research And Design.

A. Belsky, M. Hellenbrandt, V. Karen, P. Luksch
Published 2002 · Medicine, Biology, Chemistry

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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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This paper is referenced by
Towards an Ontology for Data-driven Discovery of New Materials
Kwok Cheung (2008)
10.1016/J.JALLCOM.2014.10.025
First principles study of thermoelectric properties of Li-based half-Heusler alloys
M. Yadav (2015)
10.1038/nmat4662
Complex oxides: Creative tension in layered crystals.
V. Gopalan (2016)
10.1186/s40517-015-0040-6
Geochemical/hydrochemical evaluation of the geothermal potential of the Lamongan volcanic field (Eastern Java, Indonesia)
F. Deon (2015)
10.1107/S2053273318003066
AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals.
D. Hicks (2018)
Federated Search Interface for Materials Scientists
Kwok Cheung (2009)
10.1088/1757-899X/143/1/012007
Characterization of structure and thermophysical properties of three ESR slags
Alex Plotkowski (2016)
10.1016/J.JSSC.2016.05.038
β-alumina-14H and β-alumina-21R : two chromic Na2-δ(Al,Mg,Cr)17O25 polysomes observed in slags from the production of low-carbon ferrochromium
Clivia Hejny (2016)
10.1002/cphc.201700344
Photochemical Water Splitting by Bismuth Chalcogenide Topological Insulators.
Catherine R. Rajamathi (2017)
10.1016/j.molstruc.2019.127518
Synthesis, crystal structure and properties of a new noncentrosymmetric tetraoxidomolybdate(VI)
Bikshandarkoil R. Srinivasan (2020)
10.1088/1741-4326/ab523c
Deuterium addition to liquid Li-Sn alloys: Implications for plasma-facing applications
B. D. Río (2020)
10.1063/1.5093220
Screening billions of candidates for solid lithium-ion conductors: A transfer learning approach for small data.
E. Cubuk (2019)
10.1021/CM5033755
Tunable Oxygen Vacancy Formation Energetics in the Complex Perovskite Oxide SrxLa1–xMnyAl1–yO3
A. Deml (2014)
Energy, phonon, and dynamic stability criteria of 2d materials.
Oleksandr I Malyi (2019)
10.1021/acsomega.9b00482
Computational Screening of Layered Materials for Multivalent Ion Batteries
Zihe Zhang (2019)
10.1557/mrc.2020.2
Growing field of materials informatics: databases and artificial intelligence
Alejandro López-Bezanilla (2020)
10.1016/j.electacta.2019.135106
Continuous/reversible phase transition behaviors and their effect on the hysteresis energy loss of the anodes in Na-ion batteries
Yongseok Choi (2019)
10.1039/c9ta07199g
Characterizing multiple continuous phase transitions at an alloying anode with voltammetric measurements and first-principles calculations
Yong Seok Choi (2019)
10.1007/978-1-4939-7000-1_27
Databases, Repositories, and Other Data Resources in Structural Biology.
H. Zheng (2017)
10.2138/am.2012.4175
Second-order P6̄c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure
Clivia Hejny (2012)
10.1039/c4cp03566f
The positions of inner hydroxide groups and aluminium ions in exfoliated kaolinite as indicators of the external chemical environment.
Attila Táborosi (2014)
10.3390/APP7050522
Intensified Pozzolanic Reaction on Kaolinite Clay-Based Mortar
Yang-Hee Kwon (2017)
10.1038/s41524-018-0065-z
Efficient first-principles prediction of solid stability: Towards chemical accuracy
Y. Zhang (2018)
10.1007/s13361-013-0818-3
Traveling Wave Ion Mobility Mass Spectrometry and Ab Initio Calculations of Phosphoric Acid Clusters
Hélène Lavanant (2014)
10.1038/ncomms15893
Origin of fast ion diffusion in super-ionic conductors
Xingfeng He (2017)
10.1103/PHYSREVMATERIALS.2.043802
Predictions of new AB O 3 perovskite compounds by combining machine learning and density functional theory
P. V. Balachandran (2018)
10.1088/0953-8984/24/17/175404
Frequency dependence of the quasi-soft Raman-active modes in rotationally distorted R(3+)B(3+)O3 perovskites (R(3+)-rare earth, B(3+)=Al, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Ga).
N. Todorov (2012)
10.1038/npjcompumats.2016.28
A general-purpose machine learning framework for predicting properties of inorganic materials
L. Ward (2016)
10.1007/S11837-013-0755-4
Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
J. Saal (2013)
10.1007/s10822-014-9780-9
A crystallographic perspective on sharing data and knowledge
I. Bruno (2014)
10.1002/cpe.3698
User applications driven by the community contribution framework MPContribs in the Materials Project
P. Huck (2016)
10.1063/1.4944682
Perspective: Interactive material property databases through aggregation of literature data
R. Seshadri (2016)
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