Hello,
I would like to know if there is any material property data library i can use it in the Jupyter notebook.
Would you please let me know if you know any ? other than Matminer?
Thank you.
Yes, you can use any materials data library with matminer as long as the types of objects you get out are compatible with matminer. However, there will usually be more steps to getting the data into a compatible format.
For example, you can use some of matminer’s built in data retrieval objects to create a dataframe from online repositories such as AFLOW, the Materials Project, and MPDS.
You can also use other materials data repositories (e.g., Materials Cloud) as long as the input being fed to matminer is a compatible format (pymatgen Compositions, Structures, bandstructures, etc., dataframes_. You’ll just need to convert the native form of the objects given by those repositories into something matminer can use; the “conversion” featurizers module of matminer may help with this.
Thank you for your quick reply.
I am specifically looking for material mechanical properties of alloy (i.e. normal alloy or high entropy alloy)
Is there one that is good to look into among the things you mentioned above? or is there something else I can lookup?
Thank you.
Well as a first step you can use the matbench_steels dataset which has ~312 alloys with their yield strengths. But likely you’ll want more data points than that; for more data, I’d recommend MPDS or similar experimental-based databases, as crystal-structure DBs like MaterialsProject (to my knowledge) don’t really have a lot of high entropy alloys