CaAl2O4

calcium aluminate · monocalcium aluminate

CaAl2O4 is a stable, insulating calcium aluminate ceramic widely used in industrial cement production and as a durable material support.

Crystal structure of CaAl2O4
Ground-state structure · Materials Project
Overview

About calcium aluminate

CaAl2O4 is a thermodynamically stable oxide that occupies a prominent position on the convex hull, indicating robust structural integrity. As a wide-gap insulator, it exhibits the electronic characteristics typical of high-performance aluminate ceramics, making it highly resistant to chemical degradation in demanding environments.

This compound is widely recognized for its role in industrial materials science, serving as a primary constituent in calcium aluminate cements. Its stability and structural versatility allow it to function effectively in both structural applications and as a precursor or support material within the broader category of spinel oxide catalysts.

At a glance

Key Properties

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

Band Gap

4.19–4.98 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

22
4 databases, 7 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CaAl2O4.

Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where calcium aluminate is used.

calcium aluminate cementsrefractory materialscatalyst supportadvanced ceramics
Reference

Frequently Asked Questions

Common questions about calcium aluminate, answered from cross-validated data.

What is CaAl2O4?

CaAl2O4 is a stable, insulating calcium aluminate ceramic widely used in industrial cement production and as a durable material support.

More questions
What is CaAl2O4 used for?
calcium aluminate (CaAl2O4) is used in calcium aluminate cements, refractory materials, catalyst support, and advanced ceramics.
What is the band gap of CaAl2O4?
calcium aluminate (CaAl2O4) has a DFT-computed band gap of 4.19–4.98 eV across 22 reported structures.
Is CaAl2O4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.98 eV it is an insulator / wide-band-gap material.
Is CaAl2O4 thermodynamically stable?
Yes — calcium aluminate (CaAl2O4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaAl2O4 are known?
22 structures of CaAl2O4 are reported across 4 databases, spanning 7 distinct space groups.
How is CaAl2O4 synthesized?
Literature-reported routes for CaAl2O4 include sol gel, solid state (10 procedures documented).
What elements does CaAl2O4 contain?
calcium aluminate (CaAl2O4) contains Al, Ca, and O (3 elements).
Where does the data for CaAl2O4 come from?
CaAl2O4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike transition metal-based spinel oxide catalysts such as CuO or NiO, which are frequently studied for their redox-active electronic properties, CaAl2O4 acts primarily as a stable, insulating framework. While it shares the structural robustness of MgAl2O4, its unique chemistry allows it to serve as a specialized host or binder in catalytic systems where high thermal stability is prioritized over electronic conductivity.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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