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November 23, 2007 – CRYSTMET ® 3.9.0, the most up-to-date crystal structure database for inorganic and intermetallic materials, is now available. There are 119,600 entries in this release containing crystallographic data, atomic coordinates and calculated powder diffraction patterns for intermetallics and inorganic materials. CRYSTMET® together with Toth Information Systems Inc., Materials Toolkit, provides a comprehensive computational platform for materials design and property calculations; including LEMON (low energy models obtained numerically) for the creation of random models and their optimization knowing only the formula and Z. For more information send an email to info@tothcanada.com. November 10, 2006 – CRYSTMET ® 3.7.0 is now available. There are 109,877 entries in this release containing crystallographic data, atomic coordinates and calculated powder diffraction patterns for intermetallics and inorganic materials. For more information send an email to info@tothcanada.com. February 21, 2006 – A software tool, SVDdiagnostic, to diagnose Rietveld refinements for singularity or quasi singularity of the matrix of normal equations has been developed. This tool is now freely available for downloading. A full description of the software and tutorials are available online. August 15, 2005 - A new module to study cubic closed-packed (ccp) solid solutions has been added to Materials Toolkit-2.0. A tutorial describing the functionality is available online. August 2, 2005 - A manuscript describing
the Materials Toolkit-2.0 functionality
has recently been published in the
Journal of Applied Crystallography 38, 697-705 (2005). July 22, 2005 - Materials Toolkit-2.0 a software package consisting of an integrated collection of crystallographic, property calculation and computational modeling software providing interfaces to ab initio packages is now available. Materials Toolkit brings the modeling part of many problems from such cutting-edge research domains as clusters of metals and alloys, catalysis on surfaces, fuel cell and lithium battery research, adhesion of ultra hard coating materials, multilayer epitaxic systems, nanotubes, fullerenes and peapods etc. within the realm of experimentally rather than theoretically inclined materials scientists. May 23, 2005 - A new release of CRYSTMET, version 3.4.0, containing crystal structure and calculated powder diffraction data on 94,291 intermetallic and inorganic compounds is now available. This database can be use in conjunction with our new software package Materials Toolkit-2.0 due out in July 2005. A demo version is available from Toth Information Systems website.
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