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
- 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
- More features
(less detailed and without screen shots).