What's New ?


  • March 2008 : P2D2 update (Predicted Powder Diffraction Database)
    More than 100,000 entries
    Running with EVA (Bruker)
  • March 2008 : Massive PCOD update

  • More than 40,000 entries added,
    More than 100,000 total in PCOD, see details
  • March 2008 : 

  • J. Appl. Cryst. (2008). 41, 471-475
    A cyberenvironment for crystallography and materials science and an integrated user interface to the Crystallography Open Database and Predicted Crystallography Open Database, J. R. Fennick, J. B. Keith, R. H. Leonard, T. N. Truong and J. P. Lewis
  • February 2007 : Creation of the P2D2 ; Predicted Powder Diffraction Database

  • 61015 entries - search-match possible with the EVA Bruker software
  • February 2007 : Massive PCOD update

  • 58500 entries added, see details
    61132 total in PCOD
  • April 2006 : PCOD update with new models for AlF3, FeF3, CrF3.
  • February 2006 : PCOD update with > 1000 titanosilicates. The first 207 with R < 0.01 are provided with .cif, .wrl, .dat, .xtl files (entries PCOD2200001 to PCOD2200207), those with 0.01 < R < 0.02 are provided with CIFs only (entries PCOD3200001 to PCOD3200884). The total number of entries in PCOD is now > 2600.
  • December 2005 : PCOD update with the 50 titanosilicate best models from GRINSP - much more models will follow. 
  • November 2005 : PCOD update with zeolites from 

  • Acta Crystallographica B61 (2005) 263-279.
    Hypothetical binodal zeolitic frameworks,
    A. Simperler, M. D. Foster, O. Delgado Friedrichs,
    R. G. Bell, F. A. Almeida Paz and J. Klinowski
  • April 2005 adding much more zeolites, AlF3, etc (now ~1500 entries).
  • January 2004 : added ~200 new entries in the PCOD 

  • B2O3, AlF3, BxSiyOz, BxReyOz and SixReyOz
    predicted - or enumerated - by GRINSP with R(DLS)< 0.01 
  • December 2003 : a subset of the COD is created : PCOD (Predicted Crystallography Open Database). This is an attempt to gather all these theoretical crystal structures which will very probably soon exceed in number the really observed ones. 
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