Bilbao Crystallographic Server History

Bilbao Crystallographic Server History

• New programs for Layer Groups
  11/2024: New programs for Layer groups: REPRESENTATIONS DLSG, DLCOMPREL, DLSITESYM, LBANDREP, Check Topological layer Mat., Topological Indices, RSI-layer.
  
  
• New Article
  10/2024: Tasci et al. "SUBGROUPS: a computer tool at the Bilbao Crystallographic Server for the study of pseudo-symmetric or distorted structures". J. Appl. Cryst. (2024) 57, 1650-1666
  
  
• New Article
  10/2024: de la Flor et al. "Free tools for crystallographic symmetry handling and visualization". J. Appl. Cryst. (2024) 57, 1618-1639
  
  
• New Article
  10/2024: Gabirondo-Lopez et al. "Towards dynamically configured databases for CIFs: the new modulated structures open database at the Bilbao Crystallographic Server". J. Appl. Cryst. (2024) 57, 1640-1649
  
  
• New Article
  05/2024: Xu et al. "Catalog of topological phonon materials". Science (2024) 384, 6696
  
  
• New version of the program SECTIONS
  07/2023: New version of the program that identifies layer symmetry of periodic sections.
  
  
• New programs RODS and PROJECTIONS
  07/2023: New programs for the identification of penetration rod groups and the projections of space groups.
  
  
• New features in the programs SUBGROUPS and k-SUBGROUPSMAGN
  06/2023: New option to transform a given parent structure into selected subgroups¿ settings.
  
  
• "Unified" (UNI) symbols in Magnetic Groups
  06/2023: The new unified (UNI) magnetic group symbols that combines a modified BNS symbol with essential information from the OG symbol are now also listed in the magnetic space and point group information.
  
  
• Maximal subgroups of subperiodic groups
  04/2023: Complete maximal subgroups of subperiodic groups database of index up to 9, containing the series of maximal isotypic subgroups.
  
  
• MAGNDATA steadily increases
  11/2022: The database of magnetic structures MAGNDATA reaches 2000 entries.
  
  
• New program: Check Topological Phonons
  11/2022: Check the topology of each gapped set of phonon bands
  
  
• New program: ProjectiveRep PG
  11/2022: Tables of projective representations of magnetic plane point groups
  
  
• Space-group symmetry
  05/2022: The monoclinic and tetragonal ITA-settings database has been completed.
  
  
• New Article
  04/2022: Regnault et al. "Catalogue of flat-band stoichiometric materials". Nature (2022) 603, 824-828
  
  
• New version of B-IncStrDB
  02/2022: New version of the data-base of incommensurate structures.
  
  
• New upload option in MAGNDATA
  10/2021: New feature that permits anyone to submit to this database any published magnetic structure not yet included in the collection.
  
  
• New upload option in MAGNDATA
  10/2021: New feature that permits anyone to submit to this database any published magnetic structure not yet included in the collection.
  
  
• New Article
  10/2021: Elcoro et al. "Magnetic Topological Quantum Chemistry". Nature Communications (2021) 12, 5965.
  
  
• New Article
  09/2021: de la Flor et al. "Layer groups: Brillouin-zone databases on the Bilbao Crystallographic Server". Acta Cryst (2021) A77.
  
  
• Subperiodic groups 07/2021: New features in GENPOS, WYCKPOS and MAXSUB for subperiodic groups.
  
  
• New Article
  10/2020: Xu et al. "High-throughput calculations of magnetic topological materials" Nature (2020). 586, 702-707.


• New program: MBANDREP
  10/2020: Band corepresentations and Elementary Band corepresentations of Magnetic Double Space Groups.
  
  
• New program: COREPRESENTATIONS
  10/2020: Irreducible corepresentations of the Magnetic Double Space Groups.
  
  
• New program: COREPRESENTATIONS PG
  10/2020: Irreducible corepresentations of the Magnetic Double Point Groups.
  
  
• New program: MCOMPREL
  10/2020: Compatibility relations between the irreducible corepresentations of Magnetic Space Groups.
  
  
• New program: MSITESYM
  10/2020: Site-symmetry induced representations of Magnetic Space Groups.
  
  
• New program: MKVEC
  10/2020: The k-vector types and Brillouin zones of Magnetic Space Groups.
  
  
• New program: Check Topological magnetic Mat.
  10/2020: Identify topological materials in magnetic compounds.
  
  
• New section: Topological Quantum Chemistry
  10/2020: tools for the identification of the topological character of non-magnetic and magnetic materials.
  
  
• New program: DCORREL
  02/2020: Correlations between the physically irreducible representations of a (double) group-subgroup pair.
  
  
• New Article
  10/2019: de la Flor et al. "The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server." J. Appl. Cryst. (2019) 52, 1214-1221.


• New Article
  05/2019: Gallego et al. "Automatic calculation of symmetry-adapted tensors in magnetic and non-magnetic materials: a new tool of the Bilbao Crystallographic Server." Acta Cryst. (2019) A75, 438-447.


• New Article
  03/2019: Vergniory et al. "A complete catalogue of high-quality topological materials" Nature (2019). 566, 480-485.


• Updated versions of TENSOR and MTENSOR
  03/2019: The programs give the general expression of tensor properties for a given point group and magnetic point group, respectively..


• New option in COMPSTRU
  08/2018: The program provides the visual comparison of structures.


• New program: Check Topological Mat
  08/2018: Given the electronic bands calculated from its structural parameters, the program checks if a given material is topological or not
  
  
• New Article
  11/2017: Luis Elcoro, Barry Bradlyn, Zhijun Wang, Maia G. Vergniory, Jennifer Cano, Claudia Felser, B. Andrei Bernevig, G. de la Flor and Mois I. Aroyo. "Double crystallographic groups and their representations on the Bilbao Crystallographic Server" J. Appl. Cryst. (2017). 50, 1457-1477. doi:10.1107/S1600576717011712
  
  
• New Article
  07/2017: Barry Bradlyn, Luis Elcoro, Jennifer Cano, Maia G. Vergniory, Zhijun Wang, Claudia Felser, Mois I. Aroyo and B. Andrei Bernevig. "Topological quantum chemistry" Nature (2017). 547, 298-305. doi:10.1038/nature23268
  
  
• New program: BANDREP
  04/2017: Band representations and Elementary Band representations of Double Space Groups.
  
  
• New section: Double point and space groups
  
  • New program: DGENPOS
    04/2017: General positions of Double Space Groups
  • New program: REPRESENTATIONS DPG
    04/2017: Irreducible representations of the Double Point Groups
  • New program: REPRESENTATIONS DSG
    04/2017: Irreducible representations of the Double Space Groups
  • New program: DSITESYM
    04/2017: Site-symmetry induced representations of Double Space Groups
  • New program: DCOMPREL
    04/2017: Compatibility relations between the irreducible representations of Double Space Groups
  
  
• New version: mCIF2PCR
  03/2017: Transformation from mCIF to PCR format. The PCR file can be used as input for FullProf.
  
  
• New version: SUBGROUPS
  07/2016: New version of the program SUBGROUPS to calculate the subgroups of a group under given conditions.
  
  
• New Article
  04/2016: G. de la Flor, D. Orobengoa, E. Tasci, J. M. Perez-Mato and M. I. Aroyo."Comparison of structures applying the tools available at the Bilbao Crystallographic Server".J. Appl. Cryst. (2016). 49, 653-664.
  
  
• New program: SECTIONS
  03/2016: New program to identify the layer symmetry of periodic sections.
  
  
• New version: COMPSTRU
  07/2015: New versión of the program COMPSTRU for the comparison of structures
  
  
• MTENSOR
  07/2015: Symmetry-adapted form of magnetic crystal tensors
  
  
• MPOINT
  07/2015: Magnetic Point Group Tables
  
  
• New program for layer groups: KVEC
  06/2015: new program that gives access to the k-vector database and Brillouin-zone figures for layer groups
  
  
• Plane Groups: Retrieval Tools
  05/2015: New shell dedicated to plane groups.
  
  
• New article
  05/2015: J.M. Perez-Mato, S.V. Gallego, E.S. Tasci, L. Elcoro, G. de la Flor, and M.I. Aroyo. Symmetry-Based Computational Tools for Magnetic Crystallography. Annu. Rev. Mater. Res. (2015), 45:13.1-13.32
  
  
• KVEC
  04/2015: New version of the program KVEC
  
  
• New program: MAGMODELIZE
  01/2015: Magnetic structure models for any given magnetic symmetry
  
  
• Point Groups: Retrieval Tools
  10/2014: New shell in related to the two-dimensional and three-dimensional crystallographic point groups. In that new shell one can find programs to access to the generators/general positions and the Wyckoff positions informations.
  
  
• Subperiodic Groups: Layer, Rod and Frieze Groups Retrieval Tools
  10/2014: The information about the Frieze group is available in the programs of this section: GENPOS, WPOS and MAXSUB.
  
  
• New tutorials: MAXMAGN
  09/2014: New tutorials (extended and abbreviated) about how to use MAXMAGN and other tools of the Bilbao Crystallographic Server for the analysis of magnetic structures.
  
  
• TRANPATH
  7-2007: Minor update and fixes.
  
  
• SUPERGROUPS
  6-2007: Added link to Wyckoff Positions splitting.
  
  
• SERIES
  1-2007: New version of series of maximal isomorphic subgroups for a given maximum index.
  
  
• SIMPLE RETRIEVAL TOOLS
  1-2007: Minor upgrade for GENPOS, WYCKPOS, MAXSUB and SERIES programs.
  
  
• HERMANN
  1-2007: New version of program HERMANN.
  
  
• SETSTRU
  1-2007: CIF input data, JMOL visualization and minor bugs fixed
  
  
• WPASSIGN & EQUIVSTRU
  1-2007: CIF input data and JMOL visualization
  
  
• TRANPATH
  11-2006: New addons to program TRANPATH: Printable results and minor bugs correction.
  
  
• TRANPATH
  6-2006: New version of program TRANPATH. The calculation of strain and mappings between atoms is available.
  
  
• COMMONSUPER
  5-2006: New program for obtaining common supergroups of two space groups
  
  
• SETSTRU
  4-2006: Alternative settings for a given crystal structure.
  
  
• WYCKPOS
  4-2006: Space Group ITA Settings available for WYCKPOS program.
  
  
• EQUIVSTRU
  4-2006: A program to derive systematically the equivalent descriptions of a given crystallographic structure
  
  
• BPLOT
  4-2006: A new program for pseudosymmetry search. Developed in collaboration with R. Hundt.
  
  
• GENPOS
  3-2006: Space Group ITA Settings available for GENPOS program.
  
  
• SITESYM
  3-2006: SITESYM: A new program for calculating site-symmetry induced representations of space groups
  
  
• HKL reflection conditions
  3-2006: New simple retrieval tool with the data on reflections conditions for space groups
  
  
• PSEUDO
  3-2006: Fix bug in polar cases.
  
  
• COSETS
  3-2006: New version of program COSETS. Now it is avaliable right and left coset decomposition.
  
  
• New article!
  2-2006: M. I. Aroyo, A. Kirov, C. Capillas, J. M. Perez-Mato & H. Wondratschek. "Bilbao Crystallographic Server II: Representations of crystallographic point groups and space groups". Acta Cryst. (2006), A62, 115-128. Cite it, if you use BCS!
  
  
• MAXSUB, CELLSUB, SUBGROUPGRAPH & HERMANN
  2-2006: The subgroups suite for space groups now works with tetragonal and hexagonal maximal isomorphic subgroups of indices 5 and 7. Now index factorizations like 14, 20 or 21 are available from the subgroups programs.
  
  
• NORMALIZER & WYCKSETS
  2-2006: Updated version of NORMALIZER & WYCKSETS programs. Added Euclidean/Affine normalizers symbols and table of Wyckoff Sets in main form.
  
  
• HERMANN
  1-2006: Added t-index and k-index information and group-subgroup relation type. Link to COSETS program.
  
  
• COSETS
  1-2006: New program for the coset decomposition of a group-subgroup pair
  
  
• COMMONSUBS
  11-2005: New program for calculating common subgroups for several space groups
  
  
• COMMONSUBS
  11-2005: New interfaces for obtaining common subgroups of two space groups
  
  
• CELLSUB
  10-2005: New options for filtering outbut by point group, crystal system or centering. Also available on CELLSUPER
  
  
• CELLSUPER
  10-2005: New program for obtaining lists of supergroups for a given k-index
  
  
• New article!
  10-2005: Aroyo et al. "Bilbao Crystallographic Server: Databases and crystallographic computing programs". Zeitschrift fuer Kristallographie, (2006), 221, 1, 015-027. Cite it, if you use BCS!
  
  
• SERIES
  10-2005: Option for WP Splitting in main form
  
  
• MAXSUB
  10-2005: Option for WP Splitting in main form
  
  
• CELLSUB
  09-2005: New options added
  
  
• DIRPRO
  09-2005: New program for calculating direct products of space group irreps
  
  
• TRANPATH
  08-2005: New input form and hyperlinks
  
  
• HERMANN
  07-2005: Connection with WYCKSPLIT and SYMMODES programs
  
  
• SAM
  06-2005: Added Matrices for Irreducible Representations
  
  
• POINT
  06-2005: Point subgroups information added
  
  
• GENPOS
  06-2005: Added generators and general positions for space group settings
  
  
• Rod Groups
  02-2005: Generators, General Positions, Wyckoff Positions and Maximal Subgroups for Layer and Rod Groups
  
  
• SERIES
  02-2005: New database on series of maximal isomorphic subgroups of space groups