  The reason behind the remarkable properties of High-Entropy Alloys (HEAs) is
rooted in the diverse phases and the crystal structures they contain. In the
realm of material informatics, employing machine learning (ML) techniques to
classify phases and crystal structures of HEAs has gained considerable
significance. In this study, we assembled a new collection of 1345 HEAs with
varying compositions to predict phases. Within this collection, there were 705
sets of data that were utilized to predict the crystal structures with the help
of thermodynamics and electronic configuration. Our study introduces a
methodical framework i.e., the Pearson correlation coefficient that helps in
selecting the strongly co-related features to increase the prediction accuracy.
This study employed five distinct boosting algorithms to predict phases and
crystal structures, offering an enhanced guideline for improving the accuracy
of these predictions. Among all these algorithms, XGBoost gives the highest
accuracy of prediction (94.05%) for phases and LightGBM gives the highest
accuracy of prediction of crystal structure of the phases (90.07%). The
quantification of the influence exerted by parameters on the model's accuracy
was conducted and a new approach was made to elucidate the contribution of
individual parameters in the process of phase prediction and crystal structure
prediction.
