HEACalculator is an open-source Python tool that computes 16 thermodynamic descriptors and checks 8 solid-solution prediction criteria for high-entropy alloy compositions using a curated dataset.
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HEACalculator: An Open-Source Python Tool for Thermodynamic Property Calculation and Solid Solution Prediction in High-Entropy Alloys
HEACalculator is an open-source Python tool that computes 16 thermodynamic descriptors and checks 8 solid-solution prediction criteria for high-entropy alloy compositions using a curated dataset.