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First-principles calculations of structural, elastic, electronic and optical properties of the antiperovskite AsNMg3

Materials ScienceTransition Metal ChalcogenidesFirst-principles CalculationsEngineeringPhysicsAntiperovskite Asnmg3Optical PropertiesApplied PhysicsCondensed Matter PhysicsSolid-state PhysicLead-free PerovskitesCrystallographyCrystal Structure Design