Crystal structure of silver pentazolates AgN<sub>5</sub> and AgN<sub>6</sub>
Ashley Williams, Kien Nguyen-Cong, Joseph M. Gonzalez, Ivan Oleynik
Abstract
Crystal structure of silver pentazolates AgN 5 and AgN 6 has been predicted using first-principles evolutionary crystal structure searching. AgN 5 and AgN 6 were found to be metastable at ambient conditions.
Topics & Concepts
StoichiometryRaman spectroscopyCrystal structureMetastabilityNitrogenAmbient pressureCrystallographyMoleculeChemistryCrystal (programming language)IonPhysical chemistryMaterials scienceAnalytical Chemistry (journal)Organic chemistryThermodynamicsComputer sciencePhysicsOpticsProgramming languageMXene and MAX Phase MaterialsMachine Learning in Materials ScienceInorganic Chemistry and Materials