cod [Wiki]

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====== Crystallography Open Database (COD) ======

shapeXT provides seamless, direct access to the [[http://www.crystallography.net/|Crystallography Open Database (COD)]]. With over 400,000 open-access crystal structures available, you can instantly fetch and visualize molecules, extended solids, and frameworks without having to manually download files from your web browser.

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===== How to Import a Structure =====

{{ :cod_import.png?400 |}} \\

  - In the top menu bar, navigate to **File -> Import -> Import Structure from COD...**
  - A dialog box will appear. Enter the 7-digit **COD ID** (''1000000''--''9999999'') of the desired structure.
  - Click **Import Structure** (or press Enter). 
  - shapeXT will automatically fetch the data from the database and render the structure immediately.

<WRAP center round tip 60%>
If you do not know the ID of a specific compound, you can use the search mask on the official [[http://www.crystallography.net/cod/search.html|COD website]] to find it, and then plug the resulting 7-digit ID directly into shapeXT.
</WRAP>


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===== Example Structures =====

If you want to test the capabilities of shapeXT or need some quick examples for teaching and presentations, here is a curated list of interesting COD IDs covering various fields of chemistry:

^ COD ID ^ Category ^ Compound ^ Short Description ^
| ''1000041'' | Teaching | Halite (NaCl) | The classic face-centered cubic ionic lattice. |
| ''1011023'' | Teaching | Water Ice Ih (H<sub>2</sub>O) | Ordinary hexagonal water ice. |
| ''9011362'' | Teaching | α-Sulfur (S<sub>8</sub>) | The stable orthorhombic form of sulfur at room temperature, featuring visually distinct crown-shaped cyclic molecules. |
| ''3500015'' | Teaching | Sucrose (C<sub>12</sub>H<sub>22</sub>O<sub>11</sub>) | Standard table sugar. |
| ''2300259'' | Teaching | Gypsum (CaSO<sub>4</sub> · 2 H<sub>2</sub>O) | Ordinary gypsum. |
| ''5910168'' | Teaching | Copper Sulfate (CuSO<sub>4</sub>) | Anhydrous form of copper(II) sulfate. |
| ''9007531'' | Solid State | Rutile (TiO<sub>2</sub>) | The common natural form of titanium dioxide. |
| ''1001452'' | Solid State | YBCO (YBa<sub>2</sub>Cu<sub>3</sub>O<sub>7</sub>) | A common high-temperature cuprate superconductor. |
| ''2101932'' | Organometallic | Ferrocene (Fe(C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>) | A prototypical sandwich compound. |
| ''4112548'' | MOFs | MOF-5 (IRMOF-1) | A highly porous zinc-terephthalate framework. |
| ''2300380'' | MOFs | HKUST-1 | A copper-based MOF featuring secondary building units (paddlewheel nodes). |
| ''4504094'' | Biomimetic | Zinc Porphyrin | A metalloporphyrin framework. |
| ''1007043'' | Photochemistry | Silver Phosphate (Ag<sub>3</sub>PO<sub>4</sub>) | A robust visible-light-driven photocatalyst widely studied for solar water oxidation and organic pollutant degradation. |
| ''7101903'' | Organic Chemistry | Omeprazole | A complex pharmaceutical organic solid. |