The Java applet allows the user to rotate and change the size of the crystal. The site also includes links to other webpages about crystal structures. This searchable database, maintained by the Russian Foundation of Basic Research, includes entries unique mineral names. Each mineral can be searched by name, specification, crystal chemical formula, or crystal structure characteristics.
The crystal structure information includes mineral name, specification, crystal chemical formula, space group, unit cell parameters, coordinates, thermal factors and occupancy of atomic positions as well as literature references on crystal structure determination. The database is searchable by text, words, elements, volume, or number of elements. To be included in the database, a structure has to be fully characterized, the atomic coordinates determined and the composition fully specified.
A typical entry includes inter alia, the chemical name, formula, unit cell, space group, complete atomic parameters including atomic displacement parameters , site occupation factors, title, authors and literature citation. In addition to the published data, many items are added through expert evaluation or are generated by computer programs such as the Wyckoff sequence, molecular formula and weight, ANX formula, mineral group, etc.
You may browse the Users' Guide to see how this database works. Click here for frequently asked questions for installation. Please contact data [at] nist. Continuous selection and evaluation of theoretical structures.
They can serve as a basis for developing new materials through data mining processes. Keywords to describe to physical and chemical properties are provided. Abstracts for a quick grasp of the article content are available. Simulation of Powder Diffraction Data. News ICSD now contains , crystal structures.
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