Crystallographic representation of a material, two sources seem very d

In summary, the conversation discusses the search for a software to plot a crystallographic representation of CoSb3. Two sources, ASE and Materials Project, provide different views of the material. The Materials Project website allows for changing the orientation of the crystal, but there is uncertainty about the reliability of the sources. The speaker is ultimately interested in another compound and is unsure which source to use. Both sources seem equivalent with minor differences in unit cell and bonding representation.
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fluidistic
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While searching for a software to plot a crystallographic representation of a particular material, I have come across two sources that seem to give two very different views of a same material. In this case, it is CoSb3.
On the one hand there is
spacegroup-cosb31.png
from ASE (Atomic Simulation Environment), a software in Python with a database.
On the other hand there is https://materialsproject.org/materials/mp-1317/ from the Materials Project website. With the mouse, we can change the orientation we see the part of the crystal, but I see no way to get anything close to the above picture.

So I am not sure whether they are both unreliable sources, or if they are equivalent (and trustworthy) or if one of them is wrong and the other is correct, etc.

In the end I am not interested in CoSb3 in particular, but in another compound, and I am not sure which source to use.
 
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  • #2
I think the materials project structure looks equivalent. Only difference being that they chose a different unit cell and showed the bonding slightly differently, but these two things are not important.

1609666035938.png
 
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  • #3
Big thank you, I wouldn't have figured all this out, for sure.
 
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1. What is crystallographic representation of a material?

The crystallographic representation of a material refers to the arrangement of atoms and molecules within a solid material. It is a visual representation that shows the repeating pattern of atoms in a crystal lattice.

2. How is crystallographic representation determined?

Crystallographic representation is determined through a technique called X-ray crystallography. This involves directing X-rays at a crystalline material and analyzing the diffraction pattern to determine the arrangement of atoms in the crystal lattice.

3. Why is crystallographic representation important in material science?

Crystallographic representation is important in material science because it provides valuable information about the physical and chemical properties of a material. It allows scientists to understand the structure and behavior of materials, which is crucial in developing new and improved materials for various applications.

4. Can crystallographic representation be used for all types of materials?

Yes, crystallographic representation can be used for all types of materials, including metals, ceramics, polymers, and biological materials. However, the technique used may vary depending on the type of material being studied.

5. How does crystallographic representation help in material design and development?

Crystallographic representation helps in material design and development by providing insights into the atomic arrangement and properties of materials. This information can be used to tailor the properties of materials for specific applications, such as improving strength, conductivity, or corrosion resistance.

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