How can I calculate the atomic density of the ternary Cd50Se30S20 crystalline composition?
Also, can I calculate the compactness of this composition. How?
If you know the volume density of Cd, Se, S let us assume them A, B, C, then the volume density of the alloy having atomic percentage 50, 30, 20 respectively, can be approx I mated by an imperical relation used for alloys:
Volume density of alloy : 50x A + 30xB + 20 xC / 100
Once you know the volume density of the alloy, atomic density can be calculated using Avogadro number. Volume density of Cd, Se, S can be taken from literature or Handbooks.
I am not sure whether I understand your question correctly, but from my point of view a density...anyway which kind of density (atom, mass, packing, electron)...is related to a volume. If you cannot specify the volume these 100 atoms occupy, I doubt that you will be able to calculate the atome density.
If it is a solid solution, you can estimate the density using the Vegard's law:
http://en.wikipedia.org/wiki/Vegard%27s_law
Dear Prof.Gert
Thanks for your attention to answer my question.
I know that, there are many densities like linear density, surface density, volume density ......., but I ask here specifically about how can I calculate the atomic density of a ternary or quaternary composition, for example Ge30Se25Te25As20 or any other one. So, I want to calculate the number of atoms as well as the volume that composition to calculate atomic density.
so, what is the number of atoms, and what is the volume of the composition?
Great thanks
Maybe I still do not understand your question. What is your "reference" volume? 1cm3, or one unit cell? For the second you need the structure, for the first additionally the volume of the unit cell. You can try it simple: Are you able to calculate the atom density for Ge100? Of course you know you have 8 atoms/unit cell. Anf from the unit cell size you can derive the number of atoms forming one cm3. If you want to know these numbers you need at least the structure and the unit cell size, i.e. the lattice parameters.
May be and as I think, we must use the molar volume of the composition and Avogadro's number
If you know the volume density of Cd, Se, S let us assume them A, B, C, then the volume density of the alloy having atomic percentage 50, 30, 20 respectively, can be approx I mated by an imperical relation used for alloys:
Volume density of alloy : 50x A + 30xB + 20 xC / 100
Once you know the volume density of the alloy, atomic density can be calculated using Avogadro number. Volume density of Cd, Se, S can be taken from literature or Handbooks.
It is easy to calculate the atomic density of a material.
Generally, Density is= M/Vol.
For your material, The M= (Mass. you taken to measurement X Avogadro Number)/ Molecular weight.
Then for atomic density= M/Volume.
Also,
Same way, atomic Density = (density of the material X Avogadro Number)/ Molar mass
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