Crystal Viewer Tool

By Yuanchen Chu1, Fan Chen1, Daniel F Mejia1, James Fonseca1, Michael Povolotskyi1, Gerhard Klimeck1

1. Purdue University

Visualize different crystal lattices and planes

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Version 3.0.6 - published on 13 Sep 2016

doi:10.4231/D35D8NG2Z cite this

This tool is closed source.

First-Time User Guide View All Supporting Documents

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  1. 0 Like 0 Dislike

    Anonymous

    3.0 out of 5 stars

    I am trying to use this to look at crystals from my class, but I noticed perovskite will not load for me. I was also wondering whether you all would do rutile and cristobalite?

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  2. 0 Like 0 Dislike

    Todd Krauss

    2.0 out of 5 stars

    Trying to plot a carbon nanotube structure or a wurtzite structure and for the former one gets only a buckyball and for the latter nothing plots at all. Bugs?  NaCl is great though. 

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    1. Tanya Faltens

      Todd, Thanks so much for letting us know.  There does seem to be a problem now that did not exist before.  1) I also got a bucky ball instead of a CNT.  2) I found that when you run two different simulations back to back, nothing shows up for the second simulation.  The short term fix is to "Clear all" and then run the second simulation.   I was able to view Wurtzite.   

      I think the other tool authors should be seeing this messages and may be able to fix these problems.

      You might also, in the meantime, try running version 2.3.4 of the tool (see the Versions tab) which is currently working and able to print and download very nice images of CNTs.

       

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    2. Yuanchen Chu

      Hi Todd,

       

      Thank you for posting the bug here.

       

      The issue with CNT plotting has been fixed, we will try to update and publish the new revision as soon as possible.

       

      For the wurtzite structure issue, please make sure you are viewing 'Lattice grid' or 'Basis' from the top drop-down menu. Some crystal structures have text-book unit cell like silicon, so if you are viewing a different material which doesn't have that plot, you need to change the view content manually.

       

      Let me know if you have further questions. Thank you.  

       

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    John Robert Wilcox

    5.0 out of 5 stars

    This is a very useful tool. One suggestion, you should make the colors of the box outline and the chemical bonds different.

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    Tanya Faltens

    4.0 out of 5 stars

    Nov. 2015:  The latest crystal viewer (Version 3.0) has a GREAT ability to draw any Miller plane and set the desired offset.  Moreover, the crystal can be sliced along the plane, and either side displayed.  This makes it possible to directly see the planar density of atoms in the plane.  Thanks so much for this amazing feature.

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    I like many of the features of this tool, and am happy to see that you have included atomic plances for the common semiconductor structures. When I played with these options, however, I ran into some “features” or inconsistencies that will confuse my students. For example, I’d like to understand what the (100) plane looks like in the diamond cubic structure. When I request one unit cell, it looks fine, but when I request to see the (100) plane in one unit cell, some of the atoms that are often considered to be part of the unit cell disappear, and interior atoms are shown in red. While these atoms may be in a plane parallel to the (100) plane, this is not what is generally considered to be the (100) plane. This will be very confusing for beginning students. I was unable to upload descriptive screenshots here, but put them in my class wiki page, which you can access with the following link: https://nanohub.org/groups/mte208f12/wiki/MainPage These two images show how atoms disappear when requesting the Miller plane, and the interior atoms that are shown to designate the (100) plane. My suggestion would be to keep the same atoms as in the single unit cell, and highlight the 5 atoms that lie in the yz plane in red.

    (Nov. 2012 review)

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  5. 0 Like 0 Dislike

    Azadeh Sheidaei

    5.0 out of 5 stars

    Thanks! nanohub gave me motivation in my research

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    Anonymous

    5.0 out of 5 stars


    a very nice tool with lots of nice features

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    Anonymous

    5.0 out of 5 stars

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    Mohamed Mohamed

    3.0 out of 5 stars

    Nice tool for beginners. It would be much powerful if you can also show 2D atomic arrangements of atoms along different planes (i.e. cut along 110, 111, 100) at least for diamond/zinc blende lattice. This would help students visualize and count number of atoms at different planes and use this information for hw problems.

    Also…if possible..it would be nice to show a visualization of how to obtain by a diamond lattice starting from one fcc atoms. Many beginners have trouble visualizing how diamond lattice can be constructed from 2 fcc lattice offset by a/4 (x + y + z)

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    1. Tanya Faltens

      Your first suggestion has been implemented in crystal viewer 3.0!

       

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