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Crystals  

Extended Structures Libraries

Over 12 000 crystal structures are included here, courtesy of CrystalMaker user Dr Yoshitaka Matsushita (Institute of Solid State Physics, University of Tokyo, Japan). The present libraries were last updated on 3 December 2006 ("version 6.0E").

Over 9500 chalcogenides are included here: these are compounds containing one or more elements from group VI(B) of the Periodic Table, i.e., sulphur, selenium or tellurium.

Over 1000 pnictides are also included: compounds of the Group V(B) elements P, As, Sb and Bi.

The library also includes over 1000 intermetallic structures, plus over 500 appendix structures: miscellaneous oxides, nitrides and halides.

Read about this library (36 KB PDF)


LiAl (Fd3m)

LiAl (Fd3m)
Li (Im3m)

Li (Im3m)


Installation Instructions
  • These libraries are compressed as Zip archives and you should be able to "unzip" their contents on both Windows XP and Mac OS X.

Chalcogenide Structures (December 2006)
Download Index 480 KB
Download Part 1: Structures "A-B" 10.4 MB
Download Part 2: Structures "C" 5.9 MB
Download Part 3: Structures "D-I" 2.3 MB
Download Part 4: Structures "K-M" 4.7 MB
Download Part 5: Structures "N-P" 4.1 MB
Download Part 6: Structures "R-S" 3.1 MB
Download Part 7: Structures "T-Z" 7.3 MB

Intermetallic Structures (December 2006)
Download Index 56 KB
Download Archive
2.3 MB

Pnictide Structures (December 2006)
Download Index 52 KB
Download Archive
2.0 MB

Additional Phases (December 2006)
Download Index 48 KB
Download Archive
1.2 MB

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