Ryotaro's solusions
My softwares are shared under the terms of the MIT Lisence for transparent and honest interactions with you. MARICI, especially for binary distribution with graphic user interface, will give the kind introduction to mathematical crystal chemistry, resulting in sharing my research interest with you.
MARICI
MARICI implements the algorithm derived from mathematical crystal chemistry which formulates the empirical rules of inorganic structural chemistry by mixed-integer nonlinear programming. The parameters to search crystal structures are just several kinds of atomic radii and constraints on the composition of coordination polyhedra of each ionic chemical element. Owing to the small set of parameters and simple algorithm for structural optimization, computational cost on the search for crystal structures are very small. Feel free to try MARICI which I believe it is easy to use.
CifApiClient (2025.0.0)
Inorganic Crystal Structure Database (ICSD) and Materials Project support the API to download cif files. I distribute the softwares with graphic user interface to download cif files from these APIs. The software might works only in Windows PC. Installation is very simple, just download the .7z file and expand it. After that, click "./bin/CifApiClient.exe" to launch the software. (If the Message box is launched to inform the necessity of .NET9 from Microsoft, please feel free to download since the data size is not so large. It is the universal platform to execute a software.) Following the instruction of the graphic user interface, you can easily download cif files. Note that downloading all the cif files from ICSD is very time consuming (it may spends more than one day), and I do not know what is the maximum number of collection code. The source code is also distributed through git account.
| Platform | Files |
|---|---|
| Windows source for Visual Studio 2022 | Source-for-visual-studio |
| Platform | Files |
|---|---|
| Windows x64 exefile with GUI. | CifApiClient-with-GUI |