Bilbao Crystallographic Server in forthcoming schools and workshops
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News:
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New programs for Layer Groups
11/2024: REPRESENTATIONS DLSG, DLCOMPREL, DLSITESYM, LBANDREP, Check Topological layer Mat., Topological Indices, RSI-layer.
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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
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New Article
10/2024: de la Flor et al. "Free tools for crystallographic symmetry handling and visualization". J. Appl. Cryst. (2024) 57, 1618-1639
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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
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New Article
05/2024: Xu et al. "Catalog of topological phonon materials". Science (2024) 384, 6696
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New version of the program SECTIONS
07/2023: New version of the program that identifies layer symmetry of periodic sections.
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Tutorials
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Material used in workshops and schools
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Archive
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GENPOS | Generators and General Positions of Space Groups
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WYCKPOS | Wyckoff Positions of Space Groups
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HKLCOND | Reflection conditions of Space Groups
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MAXSUB
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Maximal Subgroups of Space Groups
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SERIES
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Series of Maximal Isomorphic Subgroups of Space Groups
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WYCKSETS | Equivalent Sets of Wyckoff Positions
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NORMALIZER | Normalizers of Space Groups
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KVEC | The k-vector types and Brillouin zones of Space Groups
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SYMMETRY OPERATIONS | Geometric interpretation of matrix column representations of symmetry operations
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IDENTIFY GROUP | Identification of a Space Group from a set of generators in an arbitrary setting
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PROJECTIONS
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Projections of space space groups
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MGENPOS | General Positions of Magnetic Space Groups
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MWYCKPOS | Wyckoff Positions of Magnetic Space Groups
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MKVEC | The k-vector types and Brillouin zones of Magnetic Space Groups
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IDENTIFY MAGNETIC GROUP | Identification of a Magnetic Space Group from a set of generators in an arbitrary setting
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BNS2OG | Transformation of symmetry operations between BNS and OG settings
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mCIF2PCR | Transformation from mCIF to PCR format (FullProf).
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MPOINT | Magnetic Point Group Tables
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MAGNEXT | Extinction Rules of Magnetic Space Groups
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MAXMAGN | Maximal magnetic space groups for a given space group and a propagation vector
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MAGMODELIZE | Magnetic structure models for any given magnetic symmetry
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STRCONVERT
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Convert & Edit Structure Data (supports the CIF, mCIF, VESTA, VASP formats -- with magnetic information where available)
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k-SUBGROUPSMAG | Magnetic subgroups consistent with some given propagation vector(s) or a supercell
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MAGNDATA | A collection of magnetic structures with portable cif-type files
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MVISUALIZE | 3D Visualization of magnetic structures with Jmol
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MTENSOR | Symmetry-adapted form of crystal tensors in magnetic phases
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MAGNETIC REP.
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Decomposition of the magnetic representation into irreps
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Get_mirreps
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Irreps and order parameters in a paramagnetic space group- magnetic subgroup phase transition
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SUBGROUPGRAPH | Graph of Maximal Subgroups
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HERMANN | Distribution of subgroups in conjugated classes
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COSETS | Coset decomposition for a group-subgroup pair
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WYCKSPLIT | The splitting of the Wyckoff Positions
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MAXSUB
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Maximal Subgroups of Space Groups |
SERIES
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Series of Maximal Isomorphic Subgroups of Space Groups |
MINSUP | Minimal Supergroups of Space Groups
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SUPERGROUPS | Supergroups of Space Groups
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CELLSUB | List of subgroups for a given k-index.
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CELLSUPER | List of supergroups for a given k-index.
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NONCHAR | Non Characteristic orbits.
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COMMONSUBS | Common Subgroups of Space Groups
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COMMONSUPER | Common Supergroups of Two Space Groups
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INDEX | Index of a group subgroup pair
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SUBGROUPS | Subgroups of a space group consistent with some given supercell, propagation vector(s) or irreducible representation(s)
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KVEC | The k-vector types and Brillouin zones of Space Groups
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REPRES
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Space Groups Representations
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Representations PG
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Irreducible representations of the crystallographic Point Groups
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Representations SG
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Irreducible representations of the Space Groups
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Get_irreps
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Irreps and order parameters in a space group-subgroup phase transition
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DIRPRO
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Direct Products of Space Group Irreducible Representations
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CORREL
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Correlations relations between the irreducible representations of a group-subgroup pair
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POINT
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Point Group Tables
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SITESYM
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Site-symmetry induced representations of Space Groups
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COMPATIBILITY RELATIONS
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Compatibility relations between the irreducible representations of a space group
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MECHANICAL REP.
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Decomposition of the mechanical representation into irreps
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REPRESENTATIONS DPG
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Irreducible representations of the Double Point Groups
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REPRESENTATIONS DSG
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Irreducible representations of the Double Space Groups
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DCORREL | Correlations between the physically irreducible representations of a (double) group-subgroup pair.
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DSITESYM
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Site-symmetry induced representations of Double Space Groups
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DCOMPREL
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Compatibility relations between the irreducible representations of Double Space Groups
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BANDREP
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Band representations and Elementary Band representations of Double Space Groups
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MKVEC | The k-vector types and Brillouin zones of Magnetic Space Groups
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COREPRESENTATIONS PG
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Irreducible corepresentations of the Magnetic Double Point Groups
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COREPRESENTATIONS
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Irreducible corepresentations of the Magnetic Double Space Groups
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MCORREL | Correlations between the irreducible co-representations of a magnetic group-subgroup pair.
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MSITESYM
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Site-symmetry induced representations of Magnetic Space Groups
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MCOMPREL
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Compatibility relations between the irreducible corepresentations of Magnetic Space Groups
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MBANDREP
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Band corepresentations and Elementary Band corepresentations of Magnetic Double Space Groups
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Get_mirreps
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Irreps and order parameters in a paramagnetic space group- magnetic subgroup phase transition
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MAGNETIC REP.
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Decomposition of the magnetic representation into irreps
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REPRESENTATIONS DLSG
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Irreducible representations of the Double Layer Space Groups
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DLCOMPREL
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Compatibility relations between irreducible representations of the Double Layer Space Groups
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DLSITESYM
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Site-symmetry induced representations of Double Layer Space Groups
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NEUTRON
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Neutron Scattering Selection Rules
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SYMMODES
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Primary and Secondary Modes for a Group - Subgroup pair
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AMPLIMODES
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Symmetry Mode Analysis
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PSEUDO
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Pseudosymmetry Search in a Structure |
DOPE
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Degree of Pseudosymmetry Estimation |
TRANPATH | Transition Paths (Group not subgroup relations)
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TENSOR | Symmetry-adapted form of crystal tensors
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Check Topological Mat. | Check if a given material is topological or not
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MECHANICAL REP.
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Decomposition of the mechanical representation into irreps
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Get_irreps
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Irreps and order parameters in a space group-subgroup phase transition
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CELLTRAN
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Transform Unit Cells
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STRAIN
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Strain Tensor Calculation
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WPASSIGN
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Assignment of Wyckoff Positions
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TRANSTRU
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Transform structures.
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SETSTRU
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Alternative Settings for a given Crystal Structure
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EQUIVSTRU
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Equivalent Descriptions for a given Crystal Structure
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CIF2STANDARD
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Transforms a given CIF (in any setting) to that of standard setting
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STRCONVERT
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Convert & Edit Structure Data (supports the CIF, mCIF, VESTA, VASP formats -- with magnetic information where available)
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VISUALIZE
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Visualize structures using Jmol
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COMPSTRU
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Comparison of Crystal Structures with the same Symmetry
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STRUCTURE RELATIONS
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Evaluation of structure relationships [transformation matrix] between group-subgroup related phases
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PSEUDOLATTICE
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Pseudosymmetry of a lattice and compatible supergroups
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PSEUDO
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Pseudosymmetry Search in a Structure |
DOPE
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Degree of Pseudosymmetry Estimation |
TRANPATH | Transition Paths (Group not subgroup relations)
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BANDREP
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Band representations and Elementary Band representations of Double Space Groups
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TopologicalIndices | Topological indices of double space groups.
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RSI | RSI indices of the space groups (type II magnetic groups)
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FragileRoots
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Lists of fragile roots in the space groups
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Check Topological Mat | Check if a given non-magnetic material is topological or not
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LBANDREP
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Band representations and Elementary Band representations of Double Layer Space Groups
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TopologicalIndices | Topological indices of double space groups.
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RSI-layer | RSI indices of the Double Layer Space Groups (type II magnetic groups)
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Check Topological Layer Mat.
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Check if a given layered material is topological or not
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GENPOS
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Generators and General Positions of Subperiodic Groups
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WYCKPOS
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Wyckoff Positions of Subperiodic Groups
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MAXSUB
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Maximal Subgroups of Subperiodic Groups
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LKVEC
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The k-vector types and Brillouin zones of Layers Groups
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SECTIONS
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Identification of Layer Symmetry of Periodic Sections
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RODS
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Identification of Penetration Rod Groups
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LSITESYM
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Site-symmetry induced representations of Layer Groups
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2D GENPOS
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Generators and general positions of the two-dimensional crystallographic point groups
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2D WYCKPOS
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Wyckoff positions of the two-dimensional crystallographic point groups
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3D GENPOS
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Generators and general positions of the three-dimensional crystallographic point groups
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3D WYCKPOS
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Wyckoff positions of the three-dimensional crystallographic point groups
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POINT
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Point Group Tables
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MPOINT | Magnetic Point Group Tables
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TENSOR | Symmetry-adapted form of crystal tensors
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MTENSOR | Symmetry-adapted form of crystal tensors in magnetic phases
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GENPOS
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Generators and General Positions of Plane Groups
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WYCKPOS
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Wyckoff Positions of Plane Groups
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MAXSUB
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Maximal Subgroups of Plane Groups
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PROJECTIONS
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Projections of space space groups
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DGENPOS
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General positions of Double Space groups
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REPRESENTATIONS DPG
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Irreducible representations of the Double Point Groups
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REPRESENTATIONS DSG
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Irreducible representations of the Double Space Groups
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DSITESYM
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Site-symmetry induced representations of Double Space Groups
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DCOMPREL
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Compatibility relations between the irreducible representations of Double Space Groups
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DCORREL
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Correlations between the physically irreducible representations of a Double Group-Subgroup pair
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BANDREP
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Band representations and Elementary Band representations of Double Space Groups
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