TiAl2O5

Aluminum titanate · Tialite

Aluminum titanate is a synthetic ceramic material known for its exceptional resistance to thermal shock and low thermal expansion. It is widely utilized in high-temperature industrial environments where components must withstand rapid temperature fluctuations without cracking.

Crystal structure of TiAl2O5 (orthorhombic, Cmcm (No. 63))
Ground-state structure · Materials Project
Overview

Key Properties

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

Band Gap

2.94–3.18 eV
Range across DFT structures

Energy Above Hull

0.016 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

9
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for TiAl2O5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmcm (No. 63)orthorhombic2.940.0156-8.4573.72
Cmc21 (No. 36)orthorhombic3.180.0271-8.4463.60
Cmcm (No. 63)
Cmc21 (No. 36)Orthorhombic3.60
Cmc21 (No. 36)Orthorhombic3.82
Cmc21 (No. 36)Orthorhombic3.70
Cmcm (No. 63)Orthorhombic3.61
Cmcm (No. 63)Orthorhombic3.83
Cmcm (No. 63)Orthorhombic3.71
Uses

Applications

Where Aluminum titanate is used.

Diesel engine exhaust componentsMolten metal handling equipmentAutomotive exhaust manifoldsFoundry cruciblesThermal insulation barriers
Reference

Frequently Asked Questions

Common questions about Aluminum titanate, answered from cross-validated data.

What is TiAl2O5?

Aluminum titanate is a synthetic ceramic material known for its exceptional resistance to thermal shock and low thermal expansion. It is widely utilized in high-temperature industrial environments where components must withstand rapid temperature fluctuations without cracking.

More questions
What is TiAl2O5 used for?
Aluminum titanate (TiAl2O5) is used in diesel engine exhaust components, molten metal handling equipment, automotive exhaust manifolds, foundry crucibles, and thermal insulation barriers.
What is the band gap of TiAl2O5?
Aluminum titanate (TiAl2O5) has a DFT-computed band gap of 2.94–3.18 eV across 9 reported structures.
Is TiAl2O5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.18 eV it is an insulator / wide-band-gap material.
Is TiAl2O5 thermodynamically stable?
Aluminum titanate (TiAl2O5) has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
What is the crystal structure of TiAl2O5?
The lowest-energy reported polymorph of Aluminum titanate (TiAl2O5) is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of TiAl2O5?
The computed density of the ground-state structure of Aluminum titanate (TiAl2O5) is 3.72 g/cm³.
How many polymorphs of TiAl2O5 are known?
9 structures of TiAl2O5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does TiAl2O5 contain?
Aluminum titanate (TiAl2O5) contains Al, O, and Ti (3 elements).
Where does the data for TiAl2O5 come from?
TiAl2O5 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds

Other Spinel Oxide Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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