Literature DB >> 12037357

New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design.

Alec Belsky1, Mariette Hellenbrandt, Vicky Lynn Karen, Peter Luksch.   

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.

Year:  2002        PMID: 12037357     DOI: 10.1107/s0108768102006948

Source DB:  PubMed          Journal:  Acta Crystallogr B        ISSN: 0108-7681


  97 in total

1.  Size and crystallinity in protein-templated inorganic nanoparticles.

Authors:  Craig C Jolley; Masaki Uchida; Courtney Reichhardt; Richard Harrington; Sebyung Kang; Michael T Klem; John B Parise; Trevor Douglas
Journal:  Chem Mater       Date:  2010-08-24       Impact factor: 9.811

2.  Recent developments in the methods and applications of the bond valence model.

Authors:  Ian David Brown
Journal:  Chem Rev       Date:  2009-12       Impact factor: 60.622

3.  Convergence and machine learning predictions of Monkhorst-Pack k-points and plane-wave cut-off in high-throughput DFT calculations.

Authors:  Kamal Choudhary; Francesca Tavazza
Journal:  Comput Mater Sci       Date:  2019       Impact factor: 3.300

4.  Accelerated Discovery of Efficient Solar-cell Materials using Quantum and Machine-learning Methods.

Authors:  Kamal Choudhary; Marnik Bercx; Jie Jiang; Ruth Pachter; Dirk Lamoen; Francesca Tavazza
Journal:  Chem Mater       Date:  2019       Impact factor: 9.811

5.  Traveling wave ion mobility mass spectrometry and ab initio calculations of phosphoric acid clusters.

Authors:  Hélène Lavanant; Vincent Tognetti; Carlos Afonso
Journal:  J Am Soc Mass Spectrom       Date:  2014-02-06       Impact factor: 3.109

6.  Complex oxides: Creative tension in layered crystals.

Authors:  Venkatraman Gopalan; Roman Engel-Herbert
Journal:  Nat Mater       Date:  2016-06-13       Impact factor: 43.841

7.  First principles search for n-type oxide, nitride, and sulfide thermoelectrics.

Authors:  Kevin F Garrity
Journal:  Phys Rev B       Date:  2016-07-15       Impact factor: 4.036

8.  Electrochemical trapping of metastable Mn3+ ions for activation of MnO2 oxygen evolution catalysts.

Authors:  Zamyla Morgan Chan; Daniil A Kitchaev; Johanna Nelson Weker; Christoph Schnedermann; Kipil Lim; Gerbrand Ceder; William Tumas; Michael F Toney; Daniel G Nocera
Journal:  Proc Natl Acad Sci U S A       Date:  2018-05-21       Impact factor: 11.205

9.  Precipitation kinetics, microstructure evolution and mechanical behavior of a developed Al-Mn-Sc alloy fabricated by selective laser melting.

Authors:  Qingbo Jia; Fan Zhang; Paul Rometsch; Jingwei Li; Jitendra Mata; Matthew Weyland; Laure Bourgeois; Manling Sui; Xinhua Wu
Journal:  Acta Mater       Date:  2020       Impact factor: 8.203

10.  Materials Prediction via Classification Learning.

Authors:  Prasanna V Balachandran; James Theiler; James M Rondinelli; Turab Lookman
Journal:  Sci Rep       Date:  2015-08-25       Impact factor: 4.379

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