Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
StianRamsnes`MaXrd`
GetSymmetryData  |
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Details and Options
Examples
(5)
Basic Examples
(2)
Query the data on for example :
P
6
3
In[1]:=
 | GetSymmetryData |
Out[1]=
NameSymbol,HermannMauguinShortP 63,HermannMauguinFullP 63,SchoenfliesSymbol,HallStringP 6c,SpaceGroupNumber173,LaueClass6/m,CrystalSystemHexagonal,PropertiesCentrosymmetricQFalse,SohnckeGroupQTrue,Setting,SymmetryOperations{{{1,0,0},{0,1,0},{0,0,1}},{0,0,0}},{{{0,-1,0},{1,-1,0},{0,0,1}},{0,0,0}},{{{-1,1,0},{-1,0,0},{0,0,1}},{0,0,0}},{{-1,0,0},{0,-1,0},{0,0,1}},0,0,,{{0,1,0},{-1,1,0},{0,0,1}},0,0,,{{1,-1,0},{1,0,0},{0,0,1}},0,0,,SpecialPositionsMultiplicity6,WyckoffLetterc,SiteSymmetry1,Coordinates{x,y,z},{-y,x-y,z},{-x+y,-x,z},-x,-y,+z,y,-x+y,+z,x-y,x,+z,ReflectionConditions{{h_,k_,l_}/;hk0/;EvenQ[l]},Multiplicity2,WyckoffLetterb,SiteSymmetry3..,Coordinates,,z,,,+z,ReflectionConditions{{h_,k_,l_}/;True/;EvenQ[l]||Mod[h-k,3]1||Mod[h-k,3]2},Multiplicity2,WyckoffLettera,SiteSymmetry3..,Coordinates{0,0,z},0,0,+z,ReflectionConditions{{h_,k_,l_}/;True/;EvenQ[l]}
P6
3
6
C
6
1
2
1
2
1
2
1
2
1
2
1
2
1
3
2
3
2
3
1
3
1
2
1
2
Extract the space group number and Laue class of :
Aeaa
In[1]:=
 | GetSymmetryData |
Out[1]=
{68,mmm}
Is it the main entry of this space group?
In[2]:=
| GetSymmetryData |
Out[2]=
False
Find the symbol of the corresponding main entry:
In[3]:=
| GetSymmetryData |
Out[3]=
Ccce
Scope
(2)
Possible Issues
(1)
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