Bilbao Crystallographic Server is an open access website offering online crystallographic database and programs aimed at analyzing, calculating and visualizing problems of structural and mathematical crystallography, solid state physics and structural chemistry. Focusing on crystallographic data and applications of the group theory in solid state physics , the server is built on a core of databases and contains different shells. The set of databases includes data from International Tables of Crystallography, Vol. A: Space-Group Symmetry ,  and the data of maximal subgroups of space groups as listed in International Tables of Crystallography, Vol.
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Bilbao Crystallographic Server is an open access website offering online crystallographic database and programs aimed at analyzing, calculating and visualizing problems of structural and mathematical crystallography, solid state physics and structural chemistry.
Focusing on crystallographic data and applications of the group theory in solid state physics , the server is built on a core of databases and contains different shells. The set of databases includes data from International Tables of Crystallography, Vol. A: Space-Group Symmetry ,  and the data of maximal subgroups of space groups as listed in International Tables of Crystallography, Vol.
A1: Symmetry relations between space groups. In , the Magnetic Space Groups data compiled from H. Campbell's  and D. This shell contains applications which are essential for problems involving group-subgroup relations between space groups. The fourth shell includes programs on representation theory of space and point groups. REPRES constructs little group and full group irreducible representations for a given space group and a k-vector; CORREL deals with the correlations between the irreducible representations of group-subgroup related space groups.
The program POINT lists character tables of crystallographic point groups, Kronecker multiplication tables of their irreducible representations and further useful symmetry information. This shell is related to solid state physics and structural chemistry. The program PSEUDO performs an evaluation of the pseudosymmetry of a given structure with respect to supergroups of its space group. The analysis consists in decomposing the symmetry-breaking distortion present in the distorted structure into contributions from different symmetry-adapted modes.
Given the high and low symmetry structures, the program calculates the amplitudes and polarization vectors of the distortion modes of different symmetry frozen in the structure. The program SAM calculates symmetry-adapted modes for the centre of the Brillouin zone and classifies them according to their infrared and Raman activity.
Its results are also relevant for diffuse-scattering experiments. The initial code was written by then Ph. Afterwards, in collaboration with Harold T. Stokes and Dorian M. Asen K. Kirov, a Ph.
In , Ph. Danel Orobengoa, also a Ph. Tasci were recruited for the development team: de la Flor working mainly on the identification and interpretation of symmetry operations , structure comparison and Tasci becoming the new system administrator and main developer, focusing in the structure relations concerning phase transitions. The Bilbao Crystallographic Server team took its current line-up in with the addition of Ph.
From Wikipedia, the free encyclopedia. Alexa Internet. Retrieved International Tables for Crystallography, Vol. A: Space-Group Symmetry. Databases and crystallographic computing programs". Representations of crystallographic point groups and space groups".
Acta Crystallographica A. Categories : Crystallography Condensed matter physics Science software Crystallographic databases Scientific databases. Hidden categories: Webarchive template wayback links Articles containing potentially dated statements from April All articles containing potentially dated statements Official website different in Wikidata and Wikipedia.
Bilbao Crystallographic Server
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The double crystallographic groups are required in the study of physical systems whose Hamiltonian includes spin-dependent terms. In the symmetry analysis of such systems, instead of the irreducible representations of the space groups, it is necessary to consider the single- and double-valued irreducible representations of the double space groups. The toolDCOMPRELprovides compatibility relations between the irreducible representations of double space groups at differentkvectors of the Brillouin zone when there is a group—subgroup relation between the corresponding little groups. The programDSITESYMimplements the so-called site-symmetry approach, which establishes symmetry relations between localized and extended crystal states, using representations of the double groups.
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