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Re: [sdpd] More money for no profit



Hi,
  Thank you for the reply. You are quite correct:
  http://www.mapr.ucl.ac.be/~crystal/ is certanly a good database (currently no *.cif's) but they do not support superconducting structures...
  Other database (with support for the SC) is 
  http://www.cryst.ehu.es/icsdb/index.html
  unfortunately they had used obsolete CIF format and some of the entries cannot be cross referenced to the new format.
  It would seem that making a small translator program between the old cif dictionary to the new one would be beneficial...
  
  Regards
  
Armel Le Bail <alb...@cristal.org> wrote:          
  >   Though I might be wrong about this, there seems to be a problem, at 
  > least with incommensurate structures.
  
  There are many problem with the COD. The main problem
  being that with ~20.000 entries, it includes only 5% of the whole stuff
  (should be >400.000 entries). But let it grow and improve...
  
  Faster growing would be obtained if authors realize that
  they do not violate any copyright by sending their CIFs not
  only to ICSD and CCDC/CSD, but also to the COD. About
  that copyright question, here is the official RSC policy:
  >"The RSC has a non-exclusive licence from authors to publish CIFs in
  >RSC journals (print and online). The copyright for this material
  >remains with the authors."
  >from : Dr Jamie Humphrey, BA MA CSci CChem FRSC, Editor,
  >Dalton Transactions, Royal Society of Chemistry.
  
  About incommensurate structures, the best place is certainly
  in a specialized database like :
  http://www.mapr.ucl.ac.be/~crystal/
  The current COD tools stupidly remove from the raw CIFs
  many lines that would be essential in special cases,
  but useless in the general case.
  
  Armel
  
  COD http://www.crystallography.net/
  
  
                    

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