Crystal Structure Database (Pb0.5Sn0.5)Te

In summary, the conversation is about finding the crystal structure of (Pb0.5Sn0.5)Te, which is similar to NaCl and has a Space Group of 225. The individual is looking for the first, second, third, etc. layer of atoms closest to a specific atom and their distances. They found a resource, but it had access control and they are looking for a free-access open database. The Materials Project is suggested as an option, which allows users to input the crystal structure and generates data. The individual has registered and found NaCl, but has questions about the presence of two versions and where to find Wyckoff positions for (Pb0.5Sn0.5)Te.
  • #1
qnach
142
4
I would like to find the crystal structure of (Pb0.5Sn0.5)Te
I was told it is similar to NaCl basically an XY crystal
I think it is called Space Group: 225
I would like to know the first, second, third ...layer of atoms closest to a X atom...and perhaps their distance...

I found
http://materials.springer.com/isp/crystallographic/docs/sd_0380725
But it had some access control...
Is there any free-access open database available?
Thanks.
 
Last edited:
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  • #3
CapnGranite said:
https://www.materialsproject.org/
The Materials Project

You type in the crystal structure and it generates data

Thanks. I have registered and found NaCl.
Why there are two NaCl?
Furthermore, where can I find Wyckoff positions for this guy?

It does not seems to have (Pb0.5Sn0.5)Te?
 

1. What is the chemical formula for Pb0.5Sn0.5Te?

The chemical formula for Pb0.5Sn0.5Te is a combination of lead (Pb), tin (Sn), and tellurium (Te) atoms in a ratio of 1:1:1.

2. What is the crystal structure of Pb0.5Sn0.5Te?

The crystal structure of Pb0.5Sn0.5Te is a cubic structure, specifically a face-centered cubic (FCC) structure. This means that the atoms are arranged in a cube with atoms at each corner and in the center of each face.

3. How is the crystal structure of Pb0.5Sn0.5Te determined?

The crystal structure of Pb0.5Sn0.5Te is determined using various techniques such as X-ray diffraction, electron diffraction, and neutron diffraction. These techniques analyze the diffraction patterns produced by the arrangement of atoms in the crystal, allowing scientists to determine the crystal structure.

4. What are the properties of Pb0.5Sn0.5Te?

Pb0.5Sn0.5Te is a semiconductor material with a direct bandgap of approximately 0.3 eV. It is also a thermoelectric material, meaning it can convert heat into electricity. It has a high melting point of 830°C and is stable at high temperatures.

5. What are the potential applications of Pb0.5Sn0.5Te?

Pb0.5Sn0.5Te has potential applications in thermoelectric devices, such as thermoelectric generators for waste heat recovery, and in optoelectronic devices, such as infrared detectors. It is also being studied for use in solar cells and as a potential replacement for lead-based materials in electronic devices due to its lower toxicity.

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