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75%, 94.78%, and 96.96%, respectively. This framework overcomes the disadvantages of a single model, thereby providing an improved, practical alternative for exhaled breath analysis by e-nose.Pressure can profoundly change the electronic structure, leading to the formation of new phases and materials with exotic properties. Herein, using evolutionary algorithms and density functional theory, we systematically investigate the behaviour of materials in the yttrium-chlorine binary system under pressure. Electrons are found to be spatially