Restraints on Composition
The following boolean operators are available to impose restraints in the search-match step.
And: all the selected chemical elements must be in the resulting phases.
Or: at least one of the selected chemical elements must be in the resulting phases (additional chemical
elements can be present).
Not: none of the selected chemical elements must be in the resulting phases.
Only: only the selected chemical elements must be present simultaneously in the resulting phases. E.g.,
selecting Si and C elements only phases like SixCy will appear in the results list.
Just: all phases containing at least one of selected elements will be in the results list. E.g., selecting Si
and C elements only phases Si, Cx, SiyCz will appear.
Restraints on minimum and/or maximum number of chemical elements can be imposed using the
Press button CLEAR to cancel restraints.
Load Cards: only the phases that satisfy the restrictions will be shown in the results list;
Load and Merge Cards: if the search-match step has been already performed, the new entries
satisfying the restrictions will be combined with the entries already listed;
Search with restraints: the search-match step is executed using the imposed restraints;
Cancel all restraints: all the imposed restraints are deleted.
Restraints on Subfiles
To limit the search to one or more than one selected class of compounds.
Restraints on Chemical name
The search is limited to phases with compound name containing the string supplied in the entry box.
Restraints on Entries
￼The search is limited to phase(s) corresponding to the typed entry number(s).
Restraints on Symmetry
The search is limited to phase(s) whose space group and/or crystal system have been selected by check
In case of restraints on space group(s), the restraints selection (or removal) is executed by clicking on
‘Add’ (or ‘ Remove’ ) button.
The ‘Selected space group’ column contains the list of space group(s) selected and actively used in the
The restraints on ‘Symmetry’ could be not applicable if an old version of the database is used.
Restraints on Cell and properties
￼The search is limited to phase(s) characterized by cell parameters, and/or cell volume, and/or calculated
density and/or measured density lying in the user supplied range of values. Restraints on crystal color
can be also set; in case of POW_COD database the available list of colors is the collection of the
crystal color descriptions supplied in the COD CIF files corresponding to the POW_COD entries.
The restraints on ‘Cell and properties’ could be not applicable if an old version of the database is used.