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About us Diamond Endeavour Match! Pearson's CD  
About Pearson's CD
Data Information...
Software Functions...
Brochure (PDF)...
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Demo Version

A free-of-charge demo version with a few thousand datasets can be downloaded. More...


A quickstart manual is also available in Spanish. More...
Known Bugs...
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Pearson's Crystal Data: Features

Unlike the data information and software function lists (compare link on the left side), this article describes outstanding features, some of them garnished with screen shots. Click on a link in the feature list below, or start the features tour here.

  • Select from available values:
    Choose from lists of available values or define numerical ranges from histograms.
    Search for atomic environments.
  • Perpetual restrainting:
    Estimate results while you are still defining the search criteria.
  • All views at a glance:
    Answer set history, current selection criteria, entry report; entry data sheet, 3D structure picture, powder diffraction diagram, list of distances of current entry.
  • Dynamic plots:
    Plot unit cell parameters against temperature or pressure.
  • Figure plots:
    View pre-defined plots prepared by the editors of ”Pearson’s Crystal Data” and display e.g. a certain unit cell parameter as a function of temperature for a certain prototype.
  • Configure the entry report:
    Columns can be added to the table of all entries matching (answer set), or shifted or removed. Entry report configurations can be stored for later access.
  • Configure the entry data sheet:
    Choose the fields to be displayed for an entry each or the order of the fields.
  • Pictures of an entry each:
    Change, rotate etc. a 3D structure picture of the crystal structure, view atomic environments of selected atoms (polyhedra), simulate powder diffraction diagram.
  • Phases list:
    All entries belonging to the same phase, compiled in one row each.
  • Chemical system matrix:
    Graphical representation of all chemical systems of the current answer set as 2D matrix or 3D cube for binaries or ternaries, rsp.
  • Radii/volumes diagram:
    Diagram of atomic radii vs. unit cell diagonal or atomic volumes vs. unit cell volume for a selected prototype of an answer set.
  • Dossier of an entry:
    Compile all textual (data sheet, table of distances, etc.) as well as graphical information (3D structure picture, atomic enviroments, diffraction diagram) in one HTML document.
  • More features
    (less detailed and without screen shots).