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ICSD for WWW Help: Introduction

ICSD for WWW is a database of inorganic crystal structures and allows the user to search and display these structures in VRML and neutron or X-ray powder patterns in PDF and display postscript.

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ICSD for WWW Help: Introduction | icsd.ill.fr Reviews
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ICSD for WWW is a database of inorganic crystal structures and allows the user to search and display these structures in VRML and neutron or X-ray powder patterns in PDF and display postscript.
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1 crystals
2 crystal structures
3 inorganic chemistry
4 mineralogy
5 superconductors
6 high Tc
7 zeolites
8 materials
9 physics
10 phase transitions
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icsd for www,important,in the elements,recommended or vrml,pretty pictures,flash movie,in grenoble france,the icsd database,alan hewat
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ICSD for WWW Help: Introduction | icsd.ill.fr Reviews

https://icsd.ill.fr

ICSD for WWW is a database of inorganic crystal structures and allows the user to search and display these structures in VRML and neutron or X-ray powder patterns in PDF and display postscript.

INTERNAL PAGES

icsd.ill.fr icsd.ill.fr
1

ICSD for WWW Help: News

http://icsd.ill.fr/icsd/news.html

News for ICSD for WWW. Inorganic Crystal Structure Database. Compare this with news on the ILL master server. The version date of the ICSD interface can be found on the last line of the main form eg V03-09-18 means 18 Sept 2003. If you administer an ICSD-for-WWW server, you can update your PHP software by simply downloading icsd.zip. Directory and doing unzip icsd.zip. To replace files in directory icsd. This will not replace. Your local configuration files dbconfig.php and password.php. Updated to jmol ...

2

ICSD for WWW : Help with CIF/Jmol

http://icsd.ill.fr/icsd/help/CIF-help.html

Help with CIF/Jmol for 3D Structure Display. Is the standard defined by the IUCr. You are advised to check the CIF file using one of the free CIF syntax checkers. Eg CCDC's free Encifer. You should in particular check the symmetry operations, for example by using CCD's Mercury. Molecular plotting application. Some journals (eg IUCr's Acta Cryst) publish the original CIF files, and these should be used when available. Rather than these CIF files re-generated from the ICSD data. You can use the mouse to ma...

3

ICSD for WWW

http://icsd.ill.fr/icsd/index.php

Elements = Cu O. Any number of Cu and O atoms in the sum formula). Elements = Y Ba2 Cu3 O. Specific numbers of 2 Ba and 3 Cu atoms in the SUM formula). Elements = Zn "P2 O7". Zn plus a specific formula unit "P2 O7" in the structure. Elements = Cu O , Title = supercond. Authors = Ahtee Hewat. Authors = Hewat , Years = 1987-1997 , Elements = Y Ba2 Cu , Element Count = 3-5. The total number of database entries. If your search is too specific, you may miss relevent entries. The difference between structure.

4

ICSD for WWW : Help with VRML

http://icsd.ill.fr/icsd/help/VRML-help.html

VRML for 3D Structure Display. The quickest way of displaying ICSD structures is to simply click on the structure formula. Which should bring up a Jmol drawing of the structure CIF. You can also select structure(s) from the search results window and click on the Jmol button to draw them, or click on the CIF button to download the CIFs which you can draw using many crystallographic applications such as CCD's free Mercury. If you can't display this VRML structure. You should install a VRML browser plugin.

5

ICSD for WWW Help: Introduction

http://icsd.ill.fr/icsd

Inorganic Crystal Structure Database. We have cleaned up old user files, which were preventing some options from running eg jmol display. Jmol requires Java, which is no longer available in Chrome. Use Firefox instead. Even in Firefox, Java Security must be configured. To include the ICSD server http:/ icsd.ill.eu/. In release 2011-1. To get started, just enter eg Y Ba2 Cu3 O. Box and click Search. Of typical structures and a WWW Flash movie. Of all the things you can do (in an earlier version of ICSD).

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ifit.mccode.org ifit.mccode.org

iFit: Models model functions

http://ifit.mccode.org/Models.html

IFit: Models (fit models). How to use models. List of default fit models. Small Angle Scattering models (neutrons, x-rays). Powder structure refinement (Rietveld). Phonon dispersion in perovskites. Acoustic phonon dispersion in mono-atomic cubic crystal. Phonon dispersion from ab-initio force estimate and dynamical matrix. A few words about the theory. The system configuration (atoms, unit cell). Specific options for ABINIT. Specific options for GPAW. Specific options for QuantumEspresso/PHON. P, x, y &#...

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ICSD

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icsd.ill.fr icsd.ill.fr

ICSD for WWW Help: Introduction

Inorganic Crystal Structure Database. We have cleaned up old user files, which were preventing some options from running eg jmol display. Jmol requires Java, which is no longer available in Chrome. Use Firefox instead. Even in Firefox, Java Security must be configured. To include the ICSD server http:/ icsd.ill.eu/. In release 2011-1. To get started, just enter eg Y Ba2 Cu3 O. Box and click Search. Of typical structures and a WWW Flash movie. Of all the things you can do (in an earlier version of ICSD).

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ICSD for WWW Help: Introduction

Inorganic Crystal Structure Database. This is the new PHP-MySQL Inorganic Crystal Structure Database (ICSD-for-WWW) installed at the CSIC. For additional information, please, contact Dr. Lourdes Infantes. Or Dr Martin Martinez-Ripoll. At the Department of Crystallography and Structural Biology. Unlicensed users only have access to a demonstration version, with a small subset of the 187,093 inorganic structures. In release 2016-2. To get started, just enter e.g. Y Ba2 Cu3 O. Box and click Search. Install ...

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