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Found 6 result(s)

Das Kristallstrukturdepot

Kristallstrukturdepot

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More than 25 years ago FIZ Karlsruhe started depositing crystal structure data linked to publications in German journals. At that time it was irrelevant whether the deposited structures were organic or inorganic. Today FIZ Karlsruhe is responsible for storing the structure data of inorganic compounds. Organic structure data are stored by the Cambridge Crystallographic Data Center. Nowadays many publishers inform their authors that in parallel to a publication in a scientific journal, crystal structure data should also be stored in the Crystal Structure Depot at FIZ Karlsruhe. A CSD number will be assigned to the data for later reference in the publication. The data can then be ordered from the Crystal Structure Depot at FIZ Karlsruhe.

Inorganic Crystal Structure Database

ICSD Web

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The most comprehensive database on fully determined inorganic crystal structures • Full structural data: cell parameters, atom positions for all entries, displacement parameters • Full bibliographic data: publication title, journal reference(s), author names • Full structure description: Structural formula, compositions, ANX formulae, structure types • High-quality data: extensive data evaluation and correction by senior experts • Web and PC based software solutions, data updated twice a year • 25+ years of serving the scientific community

American Mineralogist Crystal Structure Database

AMCSD

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AMCSD is an interface to a crystal structure database that includes every structure published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, as well as selected datasets from other journals. The database is maintained under the care of the Mineralogical Society of America and the Mineralogical Association of Canada, and financed by the National Science Foundation. You may search by a mineral of your choice, or choose a mineral from a complete list to help aid your research.

WURM Project

a database of computed physical properties of minerals

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The WURM project is a database of computed Raman and infrared spectra and other physical properties for minerals. The calculations are performed within the framework of the density-functional theory and the density-functional perturbation theory. The database is freely available for teaching and research purposes and is presented in a web-based format, hosted on the https://www.wurm.info/ web site. It provides the crystal structure, the parameters of the calculations, the dielectric properties, the Raman spectra with both peak positions and intensities and the infrared spectra with peak positions for minerals. It shows the atomic displacement patterns for all the zone-center vibrational modes and the associated Raman tensors. The web presentation is user friendly and highly oriented toward the end user, with a strong educational component in mind. A set of visualization tools ensures the observation of the crystal structure, the vibrational pattern, and the different spectra. Further developments include elastic and optical properties of minerals.

Crystallography Open Database

COD

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Including data and software from CrystalEye is this a open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers. At present, this is the most comprehensive open resource for small molecule structures, freely available to all scientists in Lithuania and worldwide. Including data and software from CrystalEye, developed by Nick Day at the department of Chemistry, the University of Cambridge under supervision of Peter Murray-Rust.

EMDataResource

formerly: EMDataBank

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Cryo electron microscopy enables the determination of 3D structures of macromolecular complexes and cells from 2 to 100 Å resolution. EMDataResource is the unified global portal for one-stop deposition and retrieval of 3DEM density maps, atomic models and associated metadata, and is a joint effort among investigators of the Stanford/SLAC CryoEM Facility and the Research Collaboratory for Structural Bioinformatics (RCSB) at Rutgers, in collaboration with the EMDB team at the European Bioinformatics Institute. EMDataResource also serves as a resource for news, events, software tools, data standards, and validation methods for the 3DEM community. The major goal of the EMDataResource project in the current funding period is to work with the 3DEM community to (1) establish data-validation methods that can be used in the process of structure determination, (2) define the key indicators of a well-determined structure that should accompany every deposition, and (3) implement appropriate validation procedures for maps and map-derived models into a 3DEM validation pipeline.