FCT/ZTF

[ The crystallographic site at the Condensed Matter Physics Dept. of the University of the Basque Country ]

[ Space Groups ] [ Layer Groups ] [ Rod Groups ] [ Frieze Groups ] [ Wyckoff Sets ]

Sections Retrieval Tools Group-Subgroup Representations Solid State Structure Utilities Subperiodic Incommensurate Structures Database Contact us About us Links Publications How to cite the server Tutorials Material from the ITOnline Workshop (September 2011) Material from the school on the server (June 2009) News: INDEX 12/2011: New option: The index can be calculated introducing the lattice parameters. Space Group Selection in SYMMODES 11/2011: Minor bug fixed in the selection of the space groups form in Symmodes STRUCTURE RELATIONS & COMPSTRU 11/2011: Minor bugfix concerning the translational parts of the normalizers SYMMODES & AMPLIMODES 11/2011: Minor bug fixed in Amplimodes and Symmodes TRANSTRU 11/2011: Automatic settings transformation for R space groups implemented. STRUCTURE RELATIONS 10/2011: Improved the selection of compatible transformation matrices STRUCTURE RELATIONS 09/2011: New program to derive the transformation matrix between two group-subgroup related structures PSEUDO 09/2011: Option for following up the high symmetry structure results. COMPSTRU 07/2011: New version of the program COMPSTRU. KVEC 07/2011: New figures and tables for unique axis b setting in monoclinic space groups. MINSUP 07/2011: New version of the program MINSUP for monoclinic and triclinic space groups.Details... Results in text/plain format Results in text/xml format

Space Groups Retrieval Tools GENPOS Generators and General Positions of Space Groups WYCKPOS Wyckoff Positions of Space Groups HKLCOND Reflection conditions of Space Groups MAXSUB Maximal Subgroups of Space Groups SERIES Series of Maximal Isomorphic Subgroups of Space Groups WYCKSETS Equivalent Sets of Wyckoff Positions NORMALIZER Normalizers of Space Groups KVEC The k-vector types and Brillouin zones of Space Groups SYMMETRY OPERATIONS Geometric interpretation of matrix column representations of symmetry operations Magnetic Space Groups MGENPOS General Positions of Magnetic Space Groups MWYCKPOS Wyckoff Positions of Magnetic Space Groups MAGNEXT Extinction Rules of Magnetic Space Groups Group - Subgroup Relations of Space Groups SUBGROUPGRAPH Lattice of Maximal Subgroups HERMANN Distribution of subgroups in conjugated classes COSETS Coset decomposition for a group-subgroup pair WYCKSPLIT The splitting of the Wyckoff Positions MINSUP Minimal Supergroups of Space Groups SUPERGROUPS Supergroups of Space Groups CELLSUB List of subgroups for a given k-index. CELLSUPER List of supergroups for a given k-index. NONCHAR Non Characteristic orbits. COMMONSUBS Common Subgroups of Space Groups COMMONSUPER Common Supergroups of Two Space Groups INDEX Index of a group subgroup pair Representation Theory Applications REPRES Space Groups Representations DIRPRO Direct Products of Space Group Irreducible Representations CORREL Correlations Between Representations POINT Point Group Tables SITESYM Site-symmetry induced representations of Space Groups Solid State Theory Applications SAM Spectral Active Modes (IR and RAMAN Selection Rules) NEUTRON Neutron Scattering Selection Rules SYMMODES Primary and Secondary Modes for a Group - Subgroup pair AMPLIMODES Symmetry Mode Analysis PSEUDO Pseudosymmetry Search in a Structure DOPE Degree of Pseudosymmetry Estimation TRANPATH Transition Paths (Group not subgroup relations) Structure Utilities CELLTRAN Transform Unit Cells STRAIN Strain Tensor Calculation WPASSIGN Assignment of Wyckoff Positions TRANSTRU Transform structures. SETSTRU Alternative Settings for a given Crystal Structure EQUIVSTRU Equivalent Descriptions for a given Crystal Structure VISUALIZE Visualize structures using Jmol COMPSTRU Comparison of Crystal Structures with the same Symmetry STRUCTURE RELATIONS Finds the transformation matrix that relates the two given group-subgroup related structures within a tolerance. Subperiodic Groups: Layer, Rod and Frieze Groups Retrieval Tools GENPOS Generators and General Positions of Subperiodic Groups WPOS Wyckoff Positions of Subperiodic Groups MAXSUB Maximal Subgroups of Subperiodic Groups Databases B-IncStrDB The Bilbao Inconmensurate Crystal Structure Database

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