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The Crystallography Open Database (COD) is a database of crystal structures. [1] Unlike similar crystallographic databases , the database is entirely open-access, with registered users able to contribute published and unpublished structures of small molecules and small to medium-sized unit cell crystals to the database.
The staff at the CCDC curate the database of small-molecule organic and metal-organic crystal structures and make these available for download by the public. They also create and maintain a suite of cheminformatics software that may be used to apply the data to applications in the life sciences, including crystal engineering and materials science.
Lack of comprehensiveness or data integrity, on the other hand, are associated with some of the open-access crystal structure databases other than the Crystallography Open Database (COD), [10] [11] and is "macromolecular open-access counterpart", the world wide Protein Database.
The Cambridge Crystallographic Data Centre (CCDC) developed and launched two programs, named ConQuest and Mercury [3] that run under Windows and various types of Unix, including Linux. ConQuest as a search interface to the Cambridge Structural Database (CSD) , with Fortran code that performs a large variety of tasks, such as two dimensional and ...
A: Space-Group Symmetry, [2] and the data of maximal subgroups of space groups as listed in International Tables of Crystallography, Vol. A1: Symmetry relations between space groups. [3] A k-vector database with Brillouin zone figures and classification tables of the k-vectors for space groups is also available via the KVEC tool.
Besides education, CrysTBox is mainly used in research with fields of application spanning from nuclear research [9] to archaeology and paleontology. [10] Among others, the suite was employed in development of additive manufacturing (including 3D printed biodegradable alloys, [7] metallic glass [11] or high-entropy alloys [12]), resistant coatings, [13] laser shock peening, [14] water cleaning ...
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