# Tutorial

1. Visit [Crystal Toolkit](https://next-gen.materialsproject.org/toolkit);
2. On the crystal toolkit web page, one can query Materials Project by MP-ID, or upload a structure file. (of what format???)

![Input mp-id or structure file](https://2369879881-files.gitbook.io/~/files/v0/b/gitbook-x-prod.appspot.com/o/spaces%2F-MhdHkeirg8PPHDHWitE%2Fuploads%2Fgit-blob-1e07e3855d8595ca405f093f4698b5ada3b83a83%2Fcrystal_toolkit_1.png?alt=media)

3\. The interactive graphic user interface allows the user to visualize and manipulate crystal structures.

![Graphical User Interface](https://2369879881-files.gitbook.io/~/files/v0/b/gitbook-x-prod.appspot.com/o/spaces%2F-MhdHkeirg8PPHDHWitE%2Fuploads%2Fgit-blob-d8e1e09a68e2e9af5137f8f4286356ae46ce794e%2Fcrystal_toolkit_2.png?alt=media)

### Tutorial for how to use the Crystal Toolkit app to export a crystal slab (surface)

#### 1. [Go to Materials Project - Crystal Toolkit](https://materialsproject.org/toolkit)

#### 2. Enter the Materials ID for the crystal structure you're interested in

For example, "mp-5229" which will load the structure shown in <https://materialsproject.org/materials/mp-5229>.

![Step 2 screenshot](https://images.tango.us/public/screenshot_b2d44451-e4cc-4977-827a-bbfe1851273d.png?crop=focalpoint\&fit=crop\&fp-x=0.7101\&fp-y=0.4912\&fp-z=2.6652\&w=1200\&mark-w=0.2\&mark-pad=0\&mark64=aHR0cHM6Ly9pbWFnZXMudGFuZ28udXMvc3RhdGljL21hZGUtd2l0aC10YW5nby13YXRlcm1hcmsucG5n\&ar=2356%3A1712)

#### 3. Click on Search

This loads the crystal structure into the app.

![Step 3 screenshot](https://images.tango.us/public/screenshot_57ccca19-185a-4c55-b35f-286c5bb1f248.png?crop=focalpoint\&fit=crop\&fp-x=0.8385\&fp-y=0.4912\&fp-z=2.8841\&w=1200\&mark-w=0.2\&mark-pad=0\&mark64=aHR0cHM6Ly9pbWFnZXMudGFuZ28udXMvc3RhdGljL21hZGUtd2l0aC10YW5nby13YXRlcm1hcmsucG5n\&ar=2356%3A1712)

#### 4. Use the drop down to list available transformations

Not all transformations will be applicable to all materials.

![Step 4 screenshot](https://images.tango.us/public/screenshot_645e1d8d-fad3-4be4-91dc-95b30d00502a.png?crop=focalpoint\&fit=crop\&fp-x=0.3534\&fp-y=0.5035\&fp-z=1.2975\&w=1200\&mark-w=0.2\&mark-pad=0\&mark64=aHR0cHM6Ly9pbWFnZXMudGFuZ28udXMvc3RhdGljL21hZGUtd2l0aC10YW5nby13YXRlcm1hcmsucG5n\&ar=2356%3A1712)

#### 5. Select "Make a slab"

![Step 5 screenshot](https://images.tango.us/public/screenshot_c103b4ce-dc43-4f32-bc66-8f90e8059542.png?crop=focalpoint\&fit=crop\&fp-x=0.3531\&fp-y=0.6268\&fp-z=1.2982\&w=1200\&mark-w=0.2\&mark-pad=0\&mark64=aHR0cHM6Ly9pbWFnZXMudGFuZ28udXMvc3RhdGljL21hZGUtd2l0aC10YW5nby13YXRlcm1hcmsucG5n\&ar=2356%3A1712)

#### 6. Change options for this transformation

Options directly map to those available in pymatgen. For this example, this maps to [`SlabTransformation`](https://pymatgen.org/pymatgen.transformations.advanced_transformations.html#pymatgen.transformations.advanced_transformations.SlabTransformation).

All options have additional explanations available by hovering over the label.

![Step 6 screenshot](https://images.tango.us/public/screenshot_050ccf93-5a30-403b-af80-f76c555f2a1d.png?crop=focalpoint\&fit=crop\&fp-x=0.1715\&fp-y=0.5093\&fp-z=2.7180\&w=1200\&mark-w=0.2\&mark-pad=0\&mark64=aHR0cHM6Ly9pbWFnZXMudGFuZ28udXMvc3RhdGljL21hZGUtd2l0aC10YW5nby13YXRlcm1hcmsucG5n\&ar=2356%3A1712)

#### 7. Toggle the switch next to the transformation to active the transformation

Applying the transformation might take several seconds.

![Step 7 screenshot](https://images.tango.us/public/screenshot_93e0a9e2-6588-4cb9-8c5e-52b1c952cf6f.png?crop=focalpoint\&fit=crop\&fp-x=0.1520\&fp-y=0.2307\&fp-z=2.9568\&w=1200\&mark-w=0.2\&mark-pad=0\&mark64=aHR0cHM6Ly9pbWFnZXMudGFuZ28udXMvc3RhdGljL21hZGUtd2l0aC10YW5nby13YXRlcm1hcmsucG5n\&ar=2356%3A1712)

#### 8. Rotate the crystal structure to see the transformation applied

![Step 8 screenshot](https://images.tango.us/public/screenshot_31ec8bc2-85e2-483a-9978-99ab843dc989.png?crop=focalpoint\&fit=crop\&fp-x=0.3531\&fp-y=0.2576\&fp-z=1.1077\&w=1200\&mark-w=0.2\&mark-pad=0\&mark64=aHR0cHM6Ly9pbWFnZXMudGFuZ28udXMvc3RhdGljL21hZGUtd2l0aC10YW5nby13YXRlcm1hcmsucG5n\&ar=2356%3A1712)

#### 9. Crystal structures can be easily exported to one of several output formats.

![Step 9 screenshot](https://images.tango.us/public/screenshot_d61a1bb6-f3cf-4171-a506-116ef678a40e.png?crop=focalpoint\&fit=crop\&fp-x=0.5514\&fp-y=0.3172\&fp-z=2.8841\&w=1200\&mark-w=0.2\&mark-pad=0\&mark64=aHR0cHM6Ly9pbWFnZXMudGFuZ28udXMvc3RhdGljL21hZGUtd2l0aC10YW5nby13YXRlcm1hcmsucG5n\&ar=2356%3A1712)

#### 10. For example, the POSCAR format if you want to simulate this surface using the VASP simulation code.

![Step 10 screenshot](https://images.tango.us/public/screenshot_c6230f19-6594-4818-9572-a2e7c964c837.png?crop=focalpoint\&fit=crop\&fp-x=0.4911\&fp-y=0.4509\&fp-z=2.1599\&w=1200\&mark-w=0.2\&mark-pad=0\&mark64=aHR0cHM6Ly9pbWFnZXMudGFuZ28udXMvc3RhdGljL21hZGUtd2l0aC10YW5nby13YXRlcm1hcmsucG5n\&ar=2356%3A1712)


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