Pearson's Crystal Data: Data information

Pearson's Crystal Data is edited by:

• Pierre Villars
  E-mail: villars.mpds@bluewin.ch
  Material Phases Data System, CH-6354 Vitznau, Switzerland
• Karin Cenzual
  E-mail: Karin.Cenzual@chiam.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
• Nataliya Koblyuk-Melnichenko
• Oleksii Pavlyuk
• Vitalii Romaka
• Igor Savysyuk
• Olga Stelmakhovych
• Stainislav Stoiko
• Leonid Sysa
• Ivan Tarasyuk
• Andrii Tkatchuk

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

Ruth Burkart, Grigorii Demchenko, Daria Dzevenko, Maria Dzevenko, Maryana Didych, Evelyne Flack, Gisela Fricker, Ruth Galliker, Roman Gladyshevskii, Evgen Goreshnik, Grithli Heer, Van Luong, Marina Penzo, Renata Steiner, Yurii Verbovytskii, Tuan Vu, Irmgard Villars, Denys Yanson.

Last, but not least, our thanks go to the 40,000 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.
• 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"). 
• 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.
• Data were checked using an elaborate software package containing more than 60 modules.
• Entry contains more than twice as many database fields per entry than ICSD entries.
• First release contains 150,000 entries (first release achieves 85% overlap with ICSD entries) for more than 78,000 different phases.
• Fully standardized and comparable crystal structure data.
• Includes approximately 12,000 published powder patterns as well as about 130,000 on-the-fly computed powder patterns.
• Over 30,000 figure descriptions for cell parameters as a function of temperature, pressure, or concentration.
• Every entry contains links to external data sources:
  • Phase diagram (through ASM Phase Diagrams Online),
  • Original publication (through Crossref).