How to cite the Bilbao Crystallographic Server

Generic citations

If you have used the Bilbao Crystallographic Server in the preparation of a paper please cite it via the following three articles:

• M. I. Aroyo, J. M. Perez-Mato, D. Orobengoa, E. Tasci, G. de la Flor, A. Kirov

  "Crystallography online: Bilbao Crystallographic Server"

  Bulg. Chem. Commun. 43(2) 183-197 (2011). Scopus Web of Science

• M. I. Aroyo, J. M. Perez-Mato, C. Capillas, E. Kroumova, S. Ivantchev, G. Madariaga, A. Kirov & H. Wondratschek

  "Bilbao Crystallographic Server I: Databases and crystallographic computing programs"

  Z. Krist. 221, 1, 15-27 (2006). doi:10.1524/zkri.2006.221.1.15

• 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. A62, 115-128 (2006). doi:10.1107/S0108767305040286

Program specific citations

In addition to the general resources above, depending on the program used, the following articles should also be cited:

GENPOS, WYCKPOS, HKLCOND, MAXSUB, SERIES, WYCKSETS and NORMALIZERS

• M. I. Aroyo, J. M. Perez-Mato, C. Capillas, E. Kroumova, S. Ivantchev, G. Madariaga, A. Kirov & H. Wondratschek

  "Bilbao Crystallographic Server I: Databases and crystallographic computing programs"

  Z. Krist. 221, 1, 15-27 (2006). doi:10.1524/zkri.2006.221.1.15

KVEC

• M. I. Aroyo, D. Orobengoa, G. de la Flor, E. S. Tasci, J. M. Perez-Mato and H. Wondratschek

  "Brillouin-zone database on the Bilbao Crystallographic Server"

  Acta Cryst. A70 (2014). doi:10.1107/S205327331303091X

• E.S. Tasci, G. de la Flor, D. Orobengoa, C. Capillas, J.M. Perez-Mato, M.I. Aroyo

  "An introduction to the tools hosted in the Bilbao Crystallographic Server"

  EPJ Web of Conferences 22 00009 (2012). doi:10.1051/epjconf/20122200009

MAGNEXT, MWYCKPOS and MGENPOS

• S. V. Gallego, E. S. Tasci, G. de la Flor, J. M. Perez-Mato, M. I. Aroyo

  "Magnetic symmetry in the Bilbao Crystallographic Server: a computer program to provide systematic absences of magnetic neutron diffraction"

  J. Appl. Cryst. 45 1236-1247 (2012). doi:10.1107/S0021889812042185

MGENPOS, MAGNEXT, MWYCKPOS, IDENTIFY MAGNETIC GROUP, MAXMAGN, MAGMODELIZE, k-SUBGROUPSMAG, MAGNDATA and MVISUALIZE

• 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. http://www.annualreviews.org/doi/abs/10.1146/annurev-matsci-070214-021008

MTENSOR and TENSOR

• S.V. Gallego, J. Etxebaria, L. Elcoro, E. S. Tasci and J. M. Perez-Mato

  "Automatic calculation on symmetry-adapted tensors in magnetic and non-magnetic materials: new tool of the Bilbao Crystallographic Server"

  Acta Cryst. (2019), A75, 438-447. doi:10.1107/S2053273319001748

SUBGROUPGRAPH

• S. Ivantchev, E. Kroumova, G. Madariaga, J. M. Perez-Mato and M. I. Aroyo

  "SUBGROUPGRAPH - a computer program for analysis of group-subgroup relations between space groups"

  J. Appl. Cryst. 33, 1190-1191 (2000). doi:10.1107/S0021889800007135 (Computer program abstract)

SUPERGROUPS

• S. Ivantchev, E. Kroumova, M. I. Aroyo, J. M. Perez-Mato, J. M. Igartua, G. Madariaga and H. Wondratschek

  "SUPERGROUPS: a computer program for the determination of the supergroups of the space groups"

  J. Appl. Cryst. 35, 511-512 (2002). doi:10.1107/S002188980200732X (Computer program abstract)

WYCKSPLIT

• E. Kroumova, J. M. Perez-Mato and M. I. Aroyo

  "WYCKSPLIT: a computer program for determination of the relations of Wyckoff positions for a group-subgroup pair"

  J. Appl. Cryst. 31, 646 (1998). doi:10.1107/S0021889898005524 (Computer program abstract)

CELLSUB

• M. I. Aroyo, J. M. Perez-Mato, C. Capillas, E. Kroumova, S. Ivantchev, G. Madariaga, A. Kirov & H. Wondratschek

  "Bilbao Crystallographic Server I: Databases and crystallographic computing programs"

  Z. Krist. 221, 1, 15-27 (2006). doi:10.1524/zkri.2006.221.1.15

SUBGROUPS

• E. S. Tasci, L. Elcoro, J. M. Perez-Mato, G. de la Flor & Mois I. Aroyo

  "SUBGROUPS: a computer tool at the Bilbao Crystallographic Server for the study of pseudo-symmetric or distorted structures"

  J. Appl. Cryst. 57, 5, 1650-1666 (2024). doi:10.1107/S1600576724008070

REPRES, DIRPRO, CORREL and POINT

• 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. A62, 115-128 (2006). doi:10.1107/S0108767305040286

NEUTRON

• A. K. Kirov, M. I. Aroyo and J. M. Perez-Mato

  "NEUTRON: a program for computing phonon extinction rules of inelastic neutron scattering and thermal diffuse scattering experiments"

  J. Appl. Cryst. 36, 1085-1089 (2003). doi:10.1107/S0021889809028064

SYMMODES

• C. Capillas, E. Kroumova, J. M. Perez-Mato, M. I. Aroyo, H. T. Stokes and D. Hatch

  "SYMMODES: A software package for group-theoretical analysis of structural phase transitions"

  J. Appl. Cryst. 36, 953-954 (2003). doi:10.1107/S0021889803003212 (Computer program abstract)

AMPLIMODES

• D. Orobengoa, C. Capillas, M.I. Aroyo & J. M. Perez-Mato

  "AMPLIMODES: symmetry-mode analysis on the Bilbao Crystallographic Server"

  J. Appl. Cryst. 42, 820-833 (2009). doi:10.1107/S0021889803008690

• J. M. Perez-Mato, D. Orobengoa and M. I. Aroyo

  "Mode Crystallography of distorted structures"

  Acta. Cryst. A66, 558-590 (2010). doi:10.1107/S0108767310016247

PSEUDO

• E. Kroumova, M. I. Aroyo, J. M. Perez-Mato, S. Ivantchev, J. M. Igartua and H. Wondratschek

  "PSEUDO: a program for a pseudosymmetry search"

  J. Appl. Cryst. 34, 783-784 (2001). doi:10.1107/S0021889801011852

• C. Capillas, M.I. Aroyo and J.M. Perez-Mato

  "Methods for pseudosymmetry evaluation: a comparison between the atomic displacements and electron density approaches"

  Z. Krist. 220, 691-699 (2005) doi:10.1524/zkri.220.8.691.67076.

• C. Capillas, E.S. Tasci, G. de la Flor, D. Orobengoa, J.M. Perez-Mato and M.I. Aroyo

  "A new computer tool at the Bilbao Crystallographic Server to detect and characterize pseudosymmetry"

  Z. Krist. 226(2), 186-196 (2011). doi:10.1524/zkri.2011.1321

DOPE

• C. Capillas, M.I. Aroyo and J.M. Perez-Mato

  "Methods for pseudosymmetry evaluation: a comparison between the atomic displacements and electron density approaches"

  Z. Krist. 220, 691-699 (2005) doi:10.1524/zkri.220.8.691.67076.

TRANPATH

• C. Capillas, J.M. Perez-Mato and M.I. Aroyo

  "Maximal symmetry transition paths for reconstructive phase transitions."

  J. Phys.: Condens. Matter 19, 275203 (2007). doi:10.1088/0953-8984/19/27/275203

COMPSTRU

• 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"

  Journal of Applied Crystallography 49 653-664 (2016). doi:10.1107/S1600576716002569

• E.S. Tasci, G. de la Flor, D. Orobengoa, C. Capillas, J.M. Perez-Mato, M.I. Aroyo

  "An introduction to the tools hosted in the Bilbao Crystallographic Server"

  EPJ Web of Conferences 22 00009 (2012). doi:10.1051/epjconf/20122200009

SAM

• E. Kroumova, M. I. Aroyo, J. M. Perez Mato, A. Kirov, C. Capillas, S. Ivantchev & H. Wondratschek

  "Bilbao Crystallographic Server: useful databases and tools for phase transitions studies"

  Phase Transitions 76, Nos. 1-2, 155-170 (2003). doi:10.1080/0141159031000076110

Representations PG, Representations SG, SITESYM, COMPATIBILITY RELATIONS, DGENPOS, REPRESENTATIONS DPG, REPRESENTATIONS, DSG

• L. Elcoro, B. Bradlyn, Z. Wang, M. G. Vergniory, J. Cano, C. Felser, B. A. Bernevig, D. Orobengoa, G. de la Flor & M. I. Aroyo

  "Double crystallographic groups and their representations on the Bilbao Crystallographic Server"

  J. of Appl. Cryst. 50, 1457-1477 (2017). doi:10.1107/S1600576717011712

MAGNDATA

• S.V. Gallego, J.M. Perez-Mato, L. Elcoro, E.S. Tasci, R.M. Hanson, K. Momma, M.I. Aroyo and G. Madariaga

  "MAGNDATA: towards a database of magnetic structures. I. The commensurate case."

  Journal of Applied Crystallography 49 1750-1776 (2016). doi:10.1107/S1600576716012863

• S.V. Gallego, J.M. Perez-Mato, L. Elcoro, E.S. Tasci, R.M. Hanson, M.I. Aroyo and G. Madariaga

  "MAGNDATA: towards a database of magnetic structures. II. The incommensurate case."

  Journal of Applied Crystallography 49 1941-1956 (2016). doi:10.1107/S1600576716015491

B-IncStrDB

• J. Gabirondo-López, I. Gabirondo-López, E. S. Tasci & G. Madariaga

  "Towards dynamically configured databases for CIFs: the new modulated structures open database at the Bilbao Crystallographic Server"

  Journal of Applied Crystallography' 57 (2024). doi:10.1107/S1600576724007908

Layer groups: GENPOS, WYCKPOS and MAXSUB

• G. de la Flor, B. Souvignier, G. Madariagac and M. I. Aroyo

  "Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server"

  Acta Crystallographica A'77 (2021). doi:10.1107/S205327332100783X

LSITESYM

• G. de la Flor, D.Orobengoa, R. A. Evarestov, Y. E. Kitaev, E. S. Tasci and M. I. Aroyo

  "The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server"

  J. Appl. Cryst. (2019), 52, 1214-1221. doi:10.1107/S1600576719011725

LKVEC

• G. de la Flor, B. Souvignier, G. Madariagac and M. I. Aroyo

  "Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server"

  Acta Crystallographica A'77 (2021). doi:10.1107/S205327332100783X

BANDREP, DSITESYM, DCOMPREL

• B. Bradlyn, L. Elcoro, J. Cano, M. G. Vergniory, Z. Wang, C. Felser, M. I. Aroyo & B. A. Bernevig

  "Topological quantum chemistry"

  Nature 547, 298-305 (2017). doi:10.1038/nature23268

• M. G. Vergniory, L. Elcoro, Z. Wang, J. Cano, C. Felser, M. I. Aroyo, B. A. Bernevig & B. Bradlyn

  "Graph theory data for topological quantum chemistry"

  Phys. Rev. E 96, 023310 (2017). doi:10.1103/PhysrevE.96.023310

• L. Elcoro, B. Bradlyn, Z. Wang, M. G. Vergniory, J. Cano, C. Felser, B. A. Bernevig, D. Orobengoa, G. de la Flor & M. I. Aroyo

  "Double crystallographic groups and their representations on the Bilbao Crystallographic Server"

  J. of Appl. Cryst. 50, 1457-1477 (2017). doi:10.1107/S1600576717011712

Check Topological Mat

• M. G. Vergniory, L. Elcoro, C. Felser, N. Regnault, B. A. Bernevig & Z. Wang

  "A complete catalogue of high-quality topological materials"

  Nature 566, 480-485 (2019). doi:10.1038/s41586-019-0954-4

• Maia G. Vergniory, Benjamin J. Wieder, Luis Elcoro, Stuart S.P. Parkin, Claudia Felser, B. Andrei Bernevig & Nicolas Regnault

  "All Topological Bands of All Stoichiometric Materials"

  arXiv e-prints arXiv:2105.09954, (2021). [1]

MBANDREP, MKVEC, COREPRESENTATIONS, COREPRESENTATIONS PG, MSITESYM, MCOMPREL

• L. Elcoro, B.J. Wieder, Z. Song, Y. Xu, B. Bradlyn & B. A. Bernevig

  "Magnetic Topological Quantum Chemistry"

  Nature Communications 12, 5965 (2021). doi:10.1038/s41467-021-26241-8

• Y. Xu, L. Elcoro, Z. Song, B.J. Wieder, M. G. Vergniory, N. Regnault, Y. Chen, C. Felser & B. A. Bernevig

  "High-throughput calculations of magnetic topological materials"

  Nature 586, 702-707 (2020). doi:10.1038/s41586-020-2837-0

Check Topological Magnetic Mat

• Y. Xu, L. Elcoro, Z. Song, B.J. Wieder, M. G. Vergniory, N. Regnault, Y. Chen, C. Felser & B. A. Bernevig

  "High-throughput calculations of magnetic topological materials"

  Nature 586, 702-707 (2020). doi:10.1038/s41586-020-2837-0

• L. Elcoro, B.J. Wieder, Z. Song, Y. Xu, B. Bradlyn & B. A. Bernevig

  "Magnetic Topological Quantum Chemistry"

  Nature Communications 12, 5965 (2021). doi:10.1038/s41467-021-26241-8

DCORREL, MCORREL

• L. Elcoro, Z. Song & B. A. Bernevig

  "Application of induction procedure and Smith decomposition in calculation and topological

classification of electronic band structures in the 230 space groups"

• Phys. Rev. B 102, 035110 (2020). [2]

Check Topological Phonons

• Yuanfeng Xu, M.G. Vergniory, Da-Shuai Ma, Juan L. Mañes, Zhi-Da Song, B. Andrei Bernevig, Nicolas Regnault & L. Elcoro

  "Catalog of topological phonon materials"

  Science 384, 638 (2024). doi:10.1126/science.adf8458