AlCuO2

AlCuO2 is a thermodynamically stable, semiconducting spinel oxide used in catalytic research and materials science.

Crystal structure of AlCuO2
Ground-state structure · Materials Project
Overview

About AlCuO2

AlCuO2 is a thermodynamically stable oxide that occupies a unique position within the spinel oxide catalyst class. Its semiconducting electronic character makes it a subject of significant interest for researchers investigating charge transport and surface reactivity in complex metal oxides. The material is well-documented, with numerous reported structures across various databases, highlighting its structural versatility and potential for synthesis in diverse configurations. This compound serves as a critical model for understanding how aluminum and copper interactions dictate the performance of oxide catalysts. Its stability on the convex hull suggests that it is a robust candidate for applications where long-term durability and consistent electronic properties are required under operational conditions.

At a glance

Key Properties

Cross-validated computational properties for AlCuO2, aggregated across 4 databases.

Band Gap

1.81 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

21
4 databases, 9 space groups
Uses

Applications

Where AlCuO2 is used.

CatalysisSemiconductor researchMaterials science development
Reference

Frequently Asked Questions

Common questions about AlCuO2, answered from cross-validated data.

What is AlCuO2?

AlCuO2 is a thermodynamically stable, semiconducting spinel oxide used in catalytic research and materials science.

More questions
What is AlCuO2 used for?
AlCuO2 is used in catalysis, semiconductor research, and materials science development.
What is the band gap of AlCuO2?
AlCuO2 has a DFT-computed band gap of 1.81 eV across 21 reported structures.
Is AlCuO2 a metal, semiconductor, or insulator?
With a band gap up to 1.81 eV it is a semiconductor.
Is AlCuO2 thermodynamically stable?
Yes — AlCuO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of AlCuO2 are known?
21 structures of AlCuO2 are reported across 4 databases, spanning 9 distinct space groups.
What elements does AlCuO2 contain?
AlCuO2 contains Al, Cu, and O (3 elements).
Where does the data for AlCuO2 come from?
AlCuO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the broader family of spinel and related oxide catalysts, AlCuO2 offers a distinct electronic profile compared to simpler binary oxides like CuO or ZnO. While materials like MgAl2O4 are often studied for their structural stability as inert supports, AlCuO2 integrates the redox-active nature of copper with the structural framework of an aluminate, positioning it as a more complex functional material than traditional insulators like Al2O3 or simple transition metal oxides like NiO.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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