Na–Ni–H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3–</sup><i>Versus</i>the Perovskite NaNiH<sub>3</sub>
Kristina Spektor, Wilson A. Crichton, Stanislav Filippov, Johan Klarbring, S. I. Simak, Andreas Fischer, Ulrich Häußermann
Abstract
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Topics & Concepts
CrystallographyOrthorhombic crystal systemDensity functional theoryHydridePerovskite (structure)ChemistryPhase (matter)MetastabilityAb initioTernary operationMetalOctahedronMaterials scienceCrystal structureComputational chemistryOrganic chemistryComputer scienceProgramming languageHydrogen Storage and MaterialsNuclear Materials and PropertiesThermal Expansion and Ionic Conductivity