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[交流] 看看西班牙的晶体资源网站

Bilbao Crystallographic Server

http://www.cryst.ehu.es/

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

英文界面

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

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.
COMMONSUBS Common Subgroups of Space Groups
COMMONSUPER Common Supergroups of Two Space Groups

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
BPLOT  Pseudosymmetry Search with KPLOT
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 to lower symmetry Space Group basis.
SETSTRU  Alternative Settings for a given Crystal Structure
EQUIVSTRU  Equivalent Descriptions for a given Crystal Structure

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
ICSDB  Inconmensurate Crystal Structure Database

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