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Pearson's Crystal Data: Data information

Pearson's Crystal Data originate from the well-known PAULING FILE project and are edited by:

  • Pierre Villars
    E-mail: villars.mpds@bluewin.ch
    Material Phases Data System, CH-6354 Vitznau, Switzerland
  • Karin Cenzual
    E-mail: Karin.Cenzual@unige.ch
    Department of Inorganic Chemistry, Geneva University, Switzerland
    SCC Structure-Properties, Lviv, Ukraine

Senior Scientific Collaborators:

  • Jo Daams, Material Phases Data System, Geldrop, The Netherlands
  • Kensei Osaki, Osaka University, Osaka, Japan
  • Oleh Shcherban, SCC Structure-Properties, Lviv, Ukraine
  • Vitaliy Dubenskyy, SCC Structure-Properties, Lviv, Ukraine

Scientific Collaborators at SCC Structure-Properties:

  • Sergii Budnik
  • Igor Chumak
  • Grigorii Demchenko
  • Nataliya Koblyuk-Melnichenko
  • Volodymyr Kuprysyuk
  • Nataliya Muts
  • Oleksii Pavlyuk
  • Vitalii Romaka
  • Igor Savysyuk
  • Olga Stelmakhovych
  • Stanislav Stoiko
  • Leonid Sysa
  • Ivan Tarasyuk
  • Andrii Tkatchuk
  • Yurii Verbovytskii
  • Oksana Zaremba
  • Roman Zaremba

The editors would further like to express their thanks to the following persons:

Vasyl Berezovets, Ruth Burkart, Marta Demchyna, Daria Dzevenko, Maria Dzevenko, Maryana Didych, Badr El-Aroussi, Evelyne Flack, Gisela Fricker, Ruth Galliker, Roman Gladyshevskii, Evgen Goreshnik, Grithli Heer, Van Luong, Marina Penzo, Renata Steiner, Tuan Vu, Irmgard Villars, Denys Yanson.
   
Last, but not least, our thanks go to the almost 50,000 scientists from all over the world, whose long and tedious work we have tried to summarize in a few database fields!

Features of Pearson's Crystal Data:

  • Comprehensive world literature coverage from over 93,500 original publications.
  • Phase information available due to distinct phases concept, with the prototype entry being selected by editors for each individual entry: 
    • phase defined by crystal structure (prototype) and chemical system,
    • every phase has been given a unique formula ("phase formula"). 
  • Fully standardized and comparable crystal structure data.
  • Both published as well as standardized crystallographic data are present, with assigned atomic coordinates if a prototype could be assigned but atom coordinates were not determined.
  • Inclusion of Pearson Symbol, Prototype, Wyckoff Sequence classifications.
  • Inclusion of derived data: interatomic distance, coordination number, atomic environment.
  • Atomic environment type (coordination polyhedron) specified for every atom of the parameter list of a prototype structure.
  • General and editor's remarks, information about preparation and experimental details.
  • Data were checked using an elaborate software package containing more than 60 modules.
  • 10,000 corrections of chemical formulas, cell parameters, symmetry or atom coordinates, applied and reported in errata.
  • An entry contains more than twice as many database fields per entry than ICSD or Crystmet entries.
  • Current release (2016/17) contains almost 288,850 entries for about 165,300 different chemical formulas.
  • Excellent coverage of alloys and intermetallics as a consequence of its origin (Pearson's Handbook of Crystallographic Data for Intermetallic Phases).
  • Includes roughly 18,300 experimental powder patterns and about 271,000 calculated diagrams (interplanar spacings, intensities, Miller indices).
  • Over 39,100 figure descriptions for cell parameters as a function of temperature, pressure, or concentration.
  • Every entry contains links to external data sources:
    • ASM International Alloys Phase Diagrams Centre Online
    • SpringerMaterials consisting of
      • Landolt-Börnstein
      • Pauling File Multinaries Edition 2009 (Springer)
    • Original publication (through crossref.org).