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Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of CaLiX3 (X = Cl, Br, and I) halide perovskites

Materials ScienceAb Initio PredictionsEngineeringPerovskite Solar CellApplied PhysicsHalide PerovskitesLead-free PerovskitesFunctional MaterialsCrystal Structure DesignThermodynamic Properties