Facultad de Ciencia y Tecnologia/Zientzi eta Teknologia Fakultatea
FCT/ZTF
Bilbao Crystallographic Server Universidad del Pais Vasco/Euskal Herriko Unibertsitatea
[ 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 ]

2014: International Year of Crystallography






Sections
Retrieval Tools
Magnetic Symmetry and Applications
Group-Subgroup
Representations
Solid State
Structure Utilities
Subperiodic
Incommensurate Structures Database
Raman and Hyper-Raman scattering

Contact us
About us
Links
Publications
How to cite the server
Tutorials

Material from the ITOnline Workshop (September 2011)

ITOn! 2011 Satellite Workshop

Material from the school on the server (June 2009)

International School on the use and Applications of the Bilbao Crystallographic Server
News:
  • New program: MAGNDATA
    03/2014: A collection of magnetic structures with transportable cif-type files

  • New article
    02/2014: Brillouin-zone database on the Bilbao Crystallographic Server. Acta Cryst (2014)

  • COMPATIBILITY RELATIONS
    12/2013: New program to calculate the compatibility relations between the irreducible representations of a space group

  • REPRES and CORREL
    12/2013: New version of the programs. They labelled the irreducible representations according to the notation of Cracknell, Davies, Millen and Love.

  • PSEUDOLATTICE
    12/2013: New program to calculate the pseudosymmetry of a lattice and the compatible supergroups.

  • DOPE
    12/2013: New option for triclinic and monoclinic pseudosymmetry search.

  • POINT
    11/2013: New link to obtain the subduction tables of the irreducible representations of point groups.

  • SYMMETRY OPERATIONS
    10/2013: The geometric interpretation of symmetry operations is given in Seitz notation.

  • COMPSTRU
    10/2013: New version of the program COMPSTRU. The program is able to compare chiral structures with different space group.

  • EQUIVSTRU
    10/2013: New version of the program EQUIVSTRU. One can calculate the descriptions of enantiomorphic structures.

  • MAXMAGN
    08/2013: New program to derive maximal magnetic space groups for a given space group and a propagation vector


Results in text/plain format
Results in text/xml format
Space Groups Retrieval Tools
GENPOSGenerators and General Positions of Space Groups
WYCKPOSWyckoff Positions of Space Groups
HKLCONDReflection conditions of Space Groups
MAXSUB Maximal Subgroups of Space Groups
SERIES Series of Maximal Isomorphic Subgroups of Space Groups
WYCKSETSEquivalent Sets of Wyckoff Positions
NORMALIZERNormalizers of Space Groups
KVECThe k-vector types and Brillouin zones of Space Groups
SYMMETRY OPERATIONSGeometric interpretation of matrix column representations of symmetry operations


Magnetic Symmetry and Applications
MGENPOSGeneral Positions of Magnetic Space Groups
MWYCKPOSWyckoff Positions of Magnetic Space Groups
MAGNEXTExtinction Rules of Magnetic Space Groups
MAXMAGN Maximal magnetic space groups for a given space group and a propagation vector
MAGNDATA A collection of magnetic structures with transportable cif-type files

Group - Subgroup Relations of Space Groups
SUBGROUPGRAPHLattice of Maximal Subgroups
HERMANNDistribution of subgroups in conjugated classes
COSETSCoset decomposition for a group-subgroup pair
WYCKSPLITThe splitting of the Wyckoff Positions
MINSUPMinimal Supergroups of Space Groups
SUPERGROUPSSupergroups of Space Groups
CELLSUBList of subgroups for a given k-index.
CELLSUPERList of supergroups for a given k-index.
NONCHARNon Characteristic orbits.
COMMONSUBSCommon Subgroups of Space Groups
COMMONSUPERCommon Supergroups of Two Space Groups
INDEXIndex of a group subgroup pair


Representation Theory Applications
REPRES Space Groups Representations
DIRPRO Direct Products of Space Group Irreducible Representations
CORREL Correlations relations between the irreducible representations of a group-subgroup pair
POINT Point Group Tables
SITESYM Site-symmetry induced representations of Space Groups
COMPATIBILITY RELATIONS Compatibility relations between the irreducible representations of a space group


Solid State Theory Applications
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
TRANPATHTransition 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
STRCONVERT Convert & Edit Structure Data
(supports the CIF, mCIF, VESTA, VASP formats -- with magnetic information where available)
VISUALIZE Visualize structures using Jmol
COMPSTRU  Comparison of Crystal Structures with the same Symmetry
STRUCTURE RELATIONS  Evaluation of structure relationships [transformation matrix] between group-subgroup related phases
PSEUDOLATTICE Pseudosymmetry of a lattice and compatible supergroups


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 Incommensurate Crystal Structure Database


Raman and Hyper-Raman scattering
SAM Spectral Active Modes (IR, RAMAN and HYPER-RAMAN Selection Rules)
RAMAN AND HYPER-RAMAN TENSORS Raman and Hyper-Raman tensors in any orientation
POLARIZATION SELECTION RULES Polarization Selection Rules for Raman and Hyper-Raman Scattering processes
TWIN DOMAINS Raman or Hyper-Raman Tensors for Different Orientation Domains
CORRELATIONS POINTS Relation between the symmetry modes in a high and low symmetry phases and their activity
RAMAN CORRELATIONS SPACE IR and Raman activity under a symmetry break for a given structure
MORPHIC EFFECTS Correlation relations for point groups under the influence of an electric or magnetic field
Bilbao Crystallographic Server
http://www.cryst.ehu.es
For comments, please mail to
cryst@wm.lc.ehu.es