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[磁结构] 对称群分析工具Bilbao Crystallographic Server

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发表于 2025-2-23 13:50:42 | 查看全部 |阅读模式
在研究物质结构及其性质时必须要考虑对称性的影响,Bilbao Crystallographic Server (http://www.cryst.ehu.es)是一个非常强大的对称群分析工具:
Space Groups Retrieval Tools
GENPOS, WYCKPOS, HKLCOND, MAXSUB, SERIES, WYCKSETS, NORMALIZER, KVEC, SYMMETRY OPERATIONS, IDENTIFY GROUP
Magnetic Space Groups
MGENPOS, MWYCKPOS, MNORMALIZER, IDENTIFY MAGNETIC GROUP, BNS2OG, mCIF2PCR, MPOINT, MAGNEXT, MAXMAGN, MAGMODELIZE, STRCONVERT, k-SUBGROUPSMAG, MAGNDATA, MVISUALIZE, MTENSOR, MAGNETIC REP, Get_mirreps
Group - Subgroup Relations of Space Groups
SUBGROUPGRAPH, HERMANN, COSETS, WYCKSPLIT, MINSUP, SUPERGROUPS, CELLSUB, CELLSUPER, NONCHAR, COMMONSUBS, COMMONSUPER, INDEX, SUBGROUPS
Representation Theory Applications
REPRES, Representations PG, Representations SG, Get_irreps, Get_mirreps, DIRPRO, CORREL, POINT, SITESYM, COMPATIBILITY RELATIONS, MECHANICAL REP, MAGNETIC REP, BANDREP
Solid State Theory Applications
NEUTRON, SYMMODES, AMPLIMODES, PSEUDO, DOPE, TRANPATH, TENSORS, Check Topological Mat
Structure Utilities
CELLTRAN, STRAIN, WPASSIGN, TRANSTRU, SETSTRU, EQUIVSTRU, STRCONVERT, VISUALIZE, COMPSTRU, STRUCTURE RELATIONS, PSEUDOLATTICE
Subperiodic Groups: Layer, Rod and Frieze Groups Retrieval Tools
GENPOS, WPOS, MAXSUB, KVEC, SECTIONS, LSITESYM
IR, Raman and Hyper-Raman Scattering Tools
SAM, RAMAN AND HYPER-RAMAN TENSORS, POLARIZATION SELECTION RULES, TWIN DOMAINS, CORRELATIONS POINTS, RAMAN CORRELATIONS SPACE, MORPHIC EFFECTS
Structure Databases
The Bilbao Inconmensurate Crystal Structure Database (B-IncStrDB)
The Magnetic Structure Database (MAGNDATA)
Point-group symmetry
2D GENPOS, 2D WYCKPOS, 3D GENPOS, 3D WYCKPOS
Plane-groups symmetry
GENPOS, WYCKPPOS, MAXSUB
Double point and space groups
DGENPOS, REPRESENTATIONS DPG, REPRESENTATIONS DSG, DSITESYM, DCOMPREL, BANDREP


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