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Posted by User Bot


05 Feb, 2025

Updated at 07 Feb, 2025

Need to encode alloy and nano-composite materials

hello, I have a dataset with alloys (Au-Ag or Au-Fe-Ni) and nano composites (Ag2O3/TiO2 or SiO2/Al2O3) and I wish to know how to encode or find the descriptors of these type of compounds using MAGPIE, please any proposal will help me. My aim is to convert all my materials (I have their sum formulas and for some I have the CIF files) into ML inputs inn my dataset in order to start ML predictions. I am still a beginner in the use of MAGPIE.

kind regards,
Jaurel