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  • January 2013 : Two papers attempting to explain why, among those millions of hypothetical zeolites, only a few have real chances to occur.
    1- "The Zeolite Conundrum: Why Are There so Many Hypothetical Zeolites and so Few bserved? A Possible Answer from the Zeolite-Type Frameworks Perceived As Packings of Tiles." in Chemistry of Materials.
    2- "
    Criteria for Zeolite Frameworks Realizable for Target Synthesis"  http://onlinelibrary.wiley.com/doi/10.1002/anie.201206340/full
  • March 2012 : First citation of PCOD as containing a structure type which is encountered after its prediction.
    PCOD entry 3102887 (SiO2) corresponding to a new phophorus (V) oxonitride polymorph delta-PON.
    link to a thesis :
    Paper : Title : An Unprecedented AB(2) Tetrahedra Network Structure Type in a High-Pressure Phase of Phosphorus Oxonitride (PON)
    Author(s): Baumann, Dominik; Sedlmaier, Stefan J.; Schnick, Wolfgang
    Pages: 4707-4709
    DOI: 10.1002/anie.201200811
  • August 2010 : Paper published about databases of virtual inorganic crystal structures in a PCCP thematic issue (solid state and cluster structure prediction). Ref: A. Le Bail, Phys. Chem. Chem. Phys. 12 (2010) 8521-8530.
  • August 2009 : paper published about COD and PCOD. Ref : S. Grazulis et al., J. Appl. Cryst. 42, 2009, 726-729.
  • October 2009 : PCOD and P2D2 update (see the complete list) with inorganic compounds (silicates, phosphates, sulfates of Al, Ti, V, Ga, Nb, Zr, zeolites, fluorides, etc) predicted - or enumerated - mainly by ZEFSA II (898.707 SiO2 entries) or by GRINSP (163.520 entries), or by other programs. 
  • June 2008 : Paper published about the P2D2: A. Le Bail, Powder Diffraction 23 (2008) S5-S12.
  • 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.
  • 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.
    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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