Y3AlO6

Y3AlO6 is a wide-band-gap insulating oxide that shows promise as a stable, synthesizable material for specialized catalytic applications.

Crystal structure of Y3AlO6
Ground-state structure · Materials Project
Overview

About Y3AlO6

Y3AlO6 is a complex oxide belonging to the spinel-related family, characterized by its wide-band-gap insulating electronic structure. This material is recognized for its potential utility in catalytic processes where high-temperature stability and specific surface reactivity are required.

As a near-hull stable compound, Y3AlO6 is considered a viable candidate for experimental synthesis and practical application. Its structural versatility, supported by multiple reported configurations, positions it as an intriguing subject for researchers exploring oxide-based functional materials.

At a glance

Key Properties

Cross-validated computational properties for Y3AlO6, aggregated across 3 databases.

Band Gap

4.60–4.73 eV
Range across DFT structures

Energy Above Hull

0.019 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where Y3AlO6 is used.

Heterogeneous catalysisAdvanced ceramic researchOxide-based functional materials
Reference

Frequently Asked Questions

Common questions about Y3AlO6, answered from cross-validated data.

What is Y3AlO6?

Y3AlO6 is a wide-band-gap insulating oxide that shows promise as a stable, synthesizable material for specialized catalytic applications.

More questions
What is Y3AlO6 used for?
Y3AlO6 is used in heterogeneous catalysis, advanced ceramic research, and oxide-based functional materials.
What is the band gap of Y3AlO6?
Y3AlO6 has a DFT-computed band gap of 4.60–4.73 eV across 10 reported structures.
Is Y3AlO6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.73 eV it is an insulator / wide-band-gap material.
Is Y3AlO6 thermodynamically stable?
Y3AlO6 has a lowest energy above hull of 0.019 eV/atom (near hull (likely stable)).
How many polymorphs of Y3AlO6 are known?
10 structures of Y3AlO6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Y3AlO6 contain?
Y3AlO6 contains Al, O, and Y (3 elements).
Where does the data for Y3AlO6 come from?
Y3AlO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike more common transition metal-based catalysts such as CuO or NiO, which are often valued for their redox activity, Y3AlO6 functions primarily as a wide-gap insulator, placing it in a distinct category compared to metallic or semi-conducting oxides like LaNiO3. It shares structural relevance with MgAl2O4, yet its unique yttrium-rich composition offers different catalytic surface properties compared to the more traditional aluminates.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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