Ba6ZrO8
Ba6ZrO8 is a metastable, semiconducting perovskite oxide characterized by its complex structural arrangements.
About Ba6ZrO8
Ba6ZrO8 is a complex perovskite oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement within the oxide family, offering researchers a distinct configuration for exploring electronic and ionic transport properties.
This compound is of interest for its specific coordination environment involving barium and zirconium. While it exists in a metastable state, its structural diversity is highlighted by multiple reported configurations, making it a subject of investigation for those studying complex oxide stability and phase engineering.
Key Properties
Cross-validated computational properties for Ba6ZrO8, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where Ba6ZrO8 is used.
Frequently Asked Questions
Common questions about Ba6ZrO8, answered from cross-validated data.
What is Ba6ZrO8?
Ba6ZrO8 is a metastable, semiconducting perovskite oxide characterized by its complex structural arrangements.
What is Ba6ZrO8 used for?
What is the band gap of Ba6ZrO8?
Is Ba6ZrO8 a metal, semiconductor, or insulator?
Is Ba6ZrO8 thermodynamically stable?
How many polymorphs of Ba6ZrO8 are known?
What elements does Ba6ZrO8 contain?
Where does the data for Ba6ZrO8 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly stable and widely utilized BaTiO3, which serves as a cornerstone for dielectric applications, Ba6ZrO8 occupies a more niche position as a metastable phase. While perovskites like LaMnO3 or LaFeO3 are frequently studied for their magnetic and catalytic properties, Ba6ZrO8 provides a different structural template that challenges standard synthesis routes compared to the more conventional members of this expansive class.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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