Download the binary distribution and expand it.
Getting started with MARICI
I expect that You will be surprised by MARICI owing to the overwhelming speed to create the prototypes of crystal structures. I hope to share my curiosity and future prospect with you through MARICI. If you are a Windows user, graphic user interface will help you begin your MARICI journey.
For windows users
How to download MARICI with graphic user interface?
How to launch MARICI on Windows?
Click ./bin/Marici.exe to launch the graphic user interface. If you receive the message box waning the ".NET9" necessity, feel free to download from Microsoft. Following the instruction of MARICI, you can easily begin crystal structure predictions.
Test predictions of oxides or mixed-anion compounds
Click "Open File" in the menu strip to open the file dialog, and select one of the sample files distributed below. Since all the computation options are automatically filled, you just have to click "Next" and "Execution" button. Note that the work folder and the number of threading must be overwritten depending on your computer in "Computer setting" page.
| Prediction thema | Sample input file |
|---|---|
| Prediction of Spinel structure | spinel-sample.txt |
| Prediction of Perovskite | perovskite-sample.txt |
| Prediction of alpha-Pyrochlore | alpha-pyrochlore-sample.txt |
| Prediction of mixed-anion compounds | mixed-anion-sample.txt |
| Predictions of quaternary oxides of a few compositions | quaternary_oxides_sample.txt |
Add chemical composition in which crystal structures are predicted
In the "Chemical compositions" page, you can add the chemical composition in which crystal structures are predicted. Push "Add" button after customizing the chemical composition and setting the number of crystal structure seeds.
Update atomic radii
In the "Constraints" page, all the atomic radii of each chemical element are shown in the "list view". If necessary, you can change them. Select one of ionic element, and fill the blanks with the values of new atomic radii. After clicking the "Update" button, the overwritten atomic radii are shown in the "list view". Note that it is not necessary to fill all the blanks.
Update coordination compositions
A coordination composition is the chemical composition of a coordination polyhedron. In the "Constraints" page, all the feasible coordination compositions of each ionic chemical element are shown in the "list view". If necessary, you can change them. Select one of ionic element, and add the list of the feasible compositions of coordination polyhedra. After clicking the "Update" button, the overwritten lists of the feasible compositions are shown in the "list view". Note that it is not necessary to fill all the blanks.
