Bilbao Crystallographic Server Plain text output Space group representations

Representations of Space Groups

To obtain the representations for a given k-vector and given space group in text form you have to give the command

GET /cgi-bin/cryst/text/nph-repr?g=[gn]&b=[p|c|a]&x=[number]&y=[number]&z=[number]&l=[label]

where

• [gn] is the group number in ITA,
• b corresponds to the basis in which the k-vector coordinates will be given. The choices are: p - primitive, c - centered dual, a - adjusted coefficients.
• x,y,z are the values for the three coordinates of the k-vector,
• l is the label for the k-vector.

NOTE: By now the program uses the default choice for the group setting when there is more than one conventional setting.

For example if you want to obtain the representations for the k vector with label GM and coordinates (0,0,0) of the group 012( C 2/m) you have to do the following:

telnet www.cryst.ehu.es 80
GET /cgi-bin/cryst/text/nph-repr?g=12&b=p&x=0&y=0&z=0&l=GM

The output you will obtain has the following form:

headers ..

# Bilbao Crystallographic Server (www.cryst.ehu.es)
# Representations of space groups
# Result for group 12[ C 2/m]
#            k-vector = B(0, 0, 0)
Number of generators : 3
       1              2              3       
  1  0  0   0   -1  0  0   0   -1  0  0   0  
  0  1  0   0    0  1  0   0    0 -1  0   0  
  0  0  1   0    0  0 -1   0    0  0 -1   0  


Number of elements : 4
       1              2              3              4       
  1  0  0   0   -1  0  0   0   -1  0  0   0    1  0  0   0  
  0  1  0   0    0  1  0   0    0 -1  0   0    0 -1  0   0  
  0  0  1   0    0  0 -1   0    0  0 -1   0    0  0  1   0  

 more ....


Generator number 3
Induction matrix :
1 
Block (1,1) :
(1.000,180.0) 
#end of REPRES

For more information about the program and the data in the output, see the REPRES Users' manual.