Ca4Al6O13
Ca4Al6O13 is a stable, wide-gap insulating oxide compound used in the study of spinel-based catalytic materials.
About Ca4Al6O13
Ca4Al6O13 is a complex oxide belonging to the spinel-related catalyst family. As a wide-gap insulating material, it exhibits distinct electronic properties that differentiate it from more conductive metallic oxides, making it a subject of interest for specialized catalytic research.
This compound is characterized by its near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. Its structural profile is supported by multiple reported configurations, positioning it as a stable building block for functional ceramic materials.
Key Properties
Cross-validated computational properties for Ca4Al6O13, 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 Ca4Al6O13 is used.
Frequently Asked Questions
Common questions about Ca4Al6O13, answered from cross-validated data.
What is Ca4Al6O13?
Ca4Al6O13 is a stable, wide-gap insulating oxide compound used in the study of spinel-based catalytic materials.
What is Ca4Al6O13 used for?
What is the band gap of Ca4Al6O13?
Is Ca4Al6O13 a metal, semiconductor, or insulator?
Is Ca4Al6O13 thermodynamically stable?
How many polymorphs of Ca4Al6O13 are known?
What elements does Ca4Al6O13 contain?
Where does the data for Ca4Al6O13 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broader class of spinel oxides and related catalysts, Ca4Al6O13 occupies a niche role compared to more common transition metal-based catalysts like CuO or NiO. While materials such as MgAl2O4 are widely recognized for their structural robustness, Ca4Al6O13 offers a distinct calcium-aluminate framework that provides a different chemical environment for surface-active processes.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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