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First-Principles Investigation of the Structural, Electronic, and Thermodynamic Properties of M3AC2 MAX Phases under Varying Temperature and Pressure

Rawaid Ali, Shakeel, Muhammad Shahzad,Weibin Zhang,Hong-En Wang

CERAMICS INTERNATIONAL（2025）

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Key words
M3AC2 MAX-Phase,First principles,Structural,Electronic,Thermodynamic properties
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