Building up a simple cubic lattice: Difference between revisions
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m (New page: * Using a Cubic Simulation box of length <math>\left. L \right. </math> [EN CONSTRUCCION]) |
Carl McBride (talk | contribs) (Added a Jmol fo rthe lattice + category.) |
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* | {{Jmol_general|Simple_cubic_lattice.xyz|A simple cubic lattice}} | ||
[ | * Consider: | ||
# a cubic simulation box whose sides are of length <math>\left. L \right. </math> | |||
# a number of lattice positions, <math> \left. M \right. </math> given by <math> \left. M = m^{3} \right. </math> ; with <math> m </math> being a positive integer | |||
* The <math> \left. M \right. </math> positions are those given by: | |||
:<math> | |||
\left\{ \begin{array}{ll} | |||
x = i \times (\delta l) &; i=0,1,\cdots, m-1 \\ | |||
y = j \times (\delta l) &; j=0,1,\cdots, m-1 \\ | |||
z = k \times (\delta l) &; k=0,1,\cdots, m-1 | |||
\end{array} | |||
\right. | |||
</math> | |||
where | |||
<math> | |||
\left. | |||
\delta l = L/m | |||
\right. | |||
</math> | |||
== Atomic position(s) on a cubic cell == | |||
* Number of atoms per cell: 1 | |||
* Coordinates: | |||
Atom 1: <math> \left( x_1, y_1, z_1 \right) = \left( 0, 0, 0 \right) </math> | |||
Cell dimensions: | |||
*<math> a=b=c </math> | |||
*<math> \alpha = \beta = \gamma = 90^0 </math> | |||
[[category: computer simulation techniques]] | |||
[[category: Contains Jmol]] |
Latest revision as of 12:01, 22 July 2009
<jmol> <jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>Simple_cubic_lattice.xyz</wikiPageContents> </jmolApplet></jmol> |
- Consider:
- a cubic simulation box whose sides are of length
- a number of lattice positions, given by ; with being a positive integer
- The positions are those given by:
where
Atomic position(s) on a cubic cell[edit]
- Number of atoms per cell: 1
- Coordinates:
Atom 1:
Cell dimensions: