Materials Search Space Generator

By creating a material search space with csv, we can investigate a phase diagram with AIPHAD. There is a web application in AIPHAD, that can be used to create a material search space easily.

By using a web application called Materials Search Space Generator, we can prepare an arbitrary material search space even in high dimensions. The Python version can handle high-dimensional spaces that cannot be handled with the web application version.

• Multiple parameters: A search space can be prepared by discretizing multiple variables. In the case of 2 variables and 3 variables, it corresponds to 2 variables and 3 variables of the web application version.

• Multiple components: A search space for the multicomponent systems can be prepared by discretizing the compositions. For ternary and quaternary systems, it corresponds to the ternary section and quaternary section of the web application version.

• Binaries: A search space given in binary can be prepared.

If there are too many candidates, they may not be outputed. In that case, it is necessary to reduce the number of search candidates, such as by increasing the step size.

The screen of Materials Search Space Generator is as follows.