Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
StianRamsnes`MaXrd`
GetCrystalMetric |
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Details and Options
Examples
(7)
Basic Examples
(4)
In[1]:=
 | GetCrystalMetric |
Out[1]=
{{255.36,-127.68,0.},{-127.68,255.36,0.},{0.,0.,31.1587}}
In[1]:=
| GetCrystalMetric |
Out[1]=
{{29.4945,0.,0.},{0.,29.4945,0.},{0.,0.,29.4945}}
In[2]:=
| GetCrystalMetric |
Out[2]=
{{37.4593,0.,-20.7283},{0.,13.0184,0.},{-20.7283,0.,145.434}}
The volume of the unit cell can be easily calculated (unit: ):
3
Å
In[1]:=
Sqrt@Det@
["Silicon"]
 | GetCrystalMetric |
Out[1]=
160.181
In[1]:=
parameters=
["Quartz","LatticeParameters"]
 | $CrystalData |
Out[1]=
a,b,c,α,β,γ
4.914
Å
4.914
Å
5.406
Å
90
°
90
°
120
°
In[2]:=
| GetCrystalMetric |
Out[2]=
{{24.1474,-12.0737,0.},{-12.0737,24.1474,0.},{0.,0.,29.2248}}
Options
(2)
Applications
(1)
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