Tutorial of VESTA software for creating crystal structures
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- Опубліковано 16 жов 2024
- Tutorial for creating crystal structures from cif files or manual entry. How to create and edit bonds, atoms, planes, vectors etc as well as generate powder diffraction simulated patterns.
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Thank you so much! I'm a professor of inorganic chemistry and your tutorial is really helpful. Keep up the good work :)
DrCorrosion glad it helps!! Your UA-cam handle is so much cooler than mine ;)
Yknow, I never comment on videos like these but this was so well done! just made an almandine garnet for my research and it looks great thanks to you!
Ha! Wonderful! So glad it was helpful!
This is such a great tutorial Taylor! I share this link with my students who have found it really useful :)
Hi Serena! I almost didn't recognize you with your new last name. I'm so glad your students find this resource helpful!
Prof SPARKS a thousand thanks really, your videos are very helpful for me and even to my students
My absolute pleasure!! Comments like this make me so happy 😁
Hi Prof. Sparks, thank you so much for your tutorials! They have been a great help with learning Vesta for the first time. I was wondering that would it be possible for you to make a tutorial about how to make cutout images of unit cells since I have looked through the web and couldn't find anything to help me. Thanks
Amazing,,,that is useful for every researcher
@@isbahshamshad-01 it's truly a critical software tool to learn
Your tutorial is excellent. Many thanks for sharing such great knowledge.
Very glad to help!
Thank you very much! It would be great to see more videos about VESTA
Thanks! What in particular would you like to see?
@@TaylorSparks I'm looking for crystal shapes, but I already found a video about it
here is a new example! ua-cam.com/video/Ks2-yv0Ungs/v-deo.html
Thank you so much for this clear video, I like the way of reproducing structure of paper... well done and go ahead :) regard
Thanks. I thought it was a fun way to teach about the structure as well. Share my channel and videos around to help me keep growing it.
@@TaylorSparks actually I am new on using VESTA as I was using other software but I found VESTA is powerful, but I have faced this issues
The quality (resolution) of the image I have produced (jpeg format) was very poor.
Regards
@@dr.raieda.s.al-hamadany7173 when you export the image increase the number of multiples. If you do three or four it starts to produce very large images so the resolution will be good
@@TaylorSparks Got it, many thanks 👍
great work Mr. Taylor. This is all that I needed
This comment represent us all
Thank you ! You solved my problem bonding the atoms in my unit cell. :)
Thanks Taylor!! Great work!!
My pleasure
hi mister taylor thank you very much really excellent explanation, i need videos like that i am looking for explanations of articles like your video thank you for helping me ... thank you taylors
So glad to help!
Sir, can u do a tutorial on how to create double perovskite structure?
I am learning a lot from your videos. Thanks a lot.
Sure!
Hello, Thank you so much for creating all the videos 🥺🥺 Super grateful! Is there a way to change to size of the compass?
Thank you for this! Excellent tutorial.
Very detailed, thank you so much!!
Very happy to help!
Thank you! You saved my life!!
Does the Quantum Espresso scf file open in VESTA.Also can we arrow the atoms according to spins.
Excellent tutorial
Thank you! Help me grow the channel by like, subscribe, and share :)
Thank you for your tutorial. This helps us a lot.
@Taylor Sparks Are there any computation tools incorporated in Vesta or is it just for visualization?
It does have some great stuff. For example, it simulates diffraction patterns. I think you can also get electron densities and other cool stuff. Check utilities
Hi! I'm highschool student and It helps me a lot. But I have a question. What do you think is the advantage of vesta?
It's free.
Really awesome
Sorry to bother you, sir. recently, I am working on some TEM projects. there is a question, and I wonder whether you could offer me some help. Is there any method to transform the orientation matrix in vesta to the projection vector? because I really want to know the exact uvw values to do the STEM simulation. thank you very much.
Excuse me, do you know how to get the position of atoms for primitive unit cell of m-ZrO2? . I am trying to build m-ZrO2 structure
Hello Taylor. Could someone clearly explain, if one has a cif file with a giant conventional structure of like 200+ atoms, how could one obtain from it a primitive cell? I was looking at the Bilbao structure utilities tool and Vesta for a possible answer but I’m a little unsure of what we can do to not mess our current structure since I’m new to this. Could someone give a good answer please?
Thank you so much Taylor...
Than you so much for this tutorial.
Like sub and share please!
Dear Dr.Sparks, I have one thing to ask you. I have built the QDs with core/shell structure, during building steps I make bonding connecting the core atom to the shell atom. Then I save it as vesta file that everything is ok. But when I export from vesta file to another file (such as xyz and vasp file.) then open that xyz file some bonding is disappeared. Do I do anything wrong? Thank Dr.Sparks
Hi, I often get questions about XYZ files, but since I don't do DFT I'm not very familiar with them. I'm sorry I can't be more helpful on that point.
@@TaylorSparks thank dr.Sparks
Thank you for the video. Can you please make a video on how to make 5-7 dislocation cores in h-BN, MoS2 2D monolayer, that is for hcp materials?
Nice tutorial..thanks a lot. Could you tell me how to build a nanowire using Vesta. Thank you Sir !
hi Taylor! do you know how to create a legend with atom names for the structure in vesta?
I don't think it is possible (to my knowledge). Instead, I export two images; one with the structure and another with lone atoms. I then use illustrator to merge these into a legend.
thanks Taylor!
Hi Taylor, thanks for the video. I have a question, how can I export the image animation of an structure? Is it posible? I could export just image not the animation. Thanks
Unfortunately I don't think this is possible with Vesta. I think the only thing that you could do is export a series of pictures and then loop them together using a gif. What I would do is export them and then do a five degree rotation and then export another and so on.
i create monolayer and export it as cif file. But when open cif file again on vesta or other software it does not show me monolayer, moreover it starts from unit cell parameters mean to say first step. How can export data as a monolayer???Plz reply ?it would be big help for me thankyou
Save as .vesta, not .cif
@@TaylorSparks i want to export on wien2k,and vesta did not open there
Hi, l wonder atomic position but l dont find ...please, can you help me
Thanks for the Video. Really helpful.
Do you know how to delete more than one atom? I can't highlight in the Editor. I have a structure with about 250 O-Atoms. I want them all to be gone.
Under edit->structure I would just delete the atom.
@ Taylor, excellent tutorial, very very fluid and easy to follow. Could you create a tutorial for creating slab models using Vesta, for different crystallographic planes?
Dark great idea. Sure. I'll work on that next.
Dear Prof. Sparks, thank you for replying and agreeing to prepare a tutorial for creating slab models. A lot of users face difficulty in creating slab models of different crystallographic planes using Vesta. It would be also helpful if you choose the material to be Anatase (TiO2).
what planes would be of interest? I'll make that video soon.
In Anatase, the (101) planes have interesting properties.
here you go my friend! ua-cam.com/video/iGC_FizUVAs/v-deo.html
awesome tutorial mate!
🙌🏻🙌🏻🙌🏻 help me grow my channel by subscribing liking and sharing
Tnxx
It's very interesting.
I Lv this
Thanks for the video. Is it possible to build nanowire in VESTA? If possible then please explain.
Mirwaiz Rahaman unfortunately I don't think so.
Mirwaiz Rahaman you can make a crystal and cut away atoms to create nanowires though. I'll be doing a slab model video on that soon.
Hi
I need to calculate the interaction energy of a crystal with a molecule.
How can I import both the crystal and the molecule in one window?
Then to position the molecule correctly, I will export the file to a PDB format and visualise in another software like Avogadro or GaussView.
I really need to know how to import 2 structures in the same window in vesta.
Thanks
ua-cam.com/video/X5v77kLgctQ/v-deo.html
Why do atoms appear clustered together, I add one Pb atom but 5 or more appear in a single place?
Symmetry! That's how this software works. You tell it one atomic position and then it applies symmetry elements to reproduce that atom in all of the appropriate positions.
Can you please tell me how to calculate the angle between the moment of an element with the crystal axis?
I would say that the easiest thing to do is take the dot product between the two vectors as that will give you the angle between any two arbitrary
How can I describe a negative numbers in a miller bravais indices? For example (-1 0 1)
Negative numbers should work fine.
What if I want to dope C60 with say potassium K (KC60, K2C60, K3C60) etc. How would i produce a cif for that using vesta?
Unfortunately I don't think Vesta can do it. It only creates periodic solids ( those with a continuous lattice) not single molecules like buckyballs.
@@TaylorSparks oh okay. Do you have any suggestions software or package-wise?
thanks a lot for this video.
can i use the picture of my setting struture from VESTA program in my futre science paper? Is it legal?
Yes. Just cite VESTA software.
Would it be possible to add/show line defects (dislocations)?
I don't think that's possible, unfortunately.
Thanks for this tutorial. It is very informative and helpful. I have one question. How to make balls and stick look sharp/smooth? By default it appear pixels
to make it look sharper what you want to do is increase the zoom to get the structure larger on the white screen space and then, when you are satisfied, go to File->Export Raster Image-> select a title for your image and then when prompted to export the image you can select a number to scale it by. The default is 1X scaling but to get higher resolution you can increase this number. 10X for example is a very large file with much higher resolution.
how to change the font size label in vesta
Thank you!
sir please make a vedio for only perovskite structure
Thank you!!
thanks man
I didin't find ZnCl2
How could I make just a one estrcutur? Because when i take from this website it make me so many and i just wanna one (www.crystallography.net/cod/1515581.html)
Just download the one you want.
@@TaylorSparksYes I do however it saw me a network molecule and I just want only one of them.
Thank you!