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).