GROUP THEORY SYMBOL
GTCrystalData
GTCrystalData[input]
provides information about crystal structures. Input can be a Strukturbericht classification, or a molecular formula.
DetailsDetails
- Information about crystal structures with respect to the Strukturbericht classification is provided.
- The following Strukturbericht notations appear:
- A - elements
B - compounds of type AB
C - compounds of type
D - compounds of type
E - compounds with more than two sorts of atoms
F - compounds with a radical of 2 or 3 atoms
H - compounds with a radical of 5 or more atoms
L - alloys - If input is a Strukturbericht classification, a table will be provided with information about the corresponding reference in Strukturbericht, the prototype of the structure, Pearson symbol and space group number. If a star (*) appears in the GTPack.struc field, this structure is implemented in the basic GTPack.struc structure file.
- If GOStructures is set
- True , input can be a molecular formula. The command tries to find the crystal in the database and provides the same information as explained before.
- The following options can be given:
-
GOTable False Prints the complete table of information GOStructures False Expects Strukturbericht information as input GOVerbose False Controls the output of additional information - See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 4.2