TiAl2O5
Tialite · Aluminum titanate
Tialite is a thermally stable, insulating ceramic oxide used primarily for its resistance to extreme temperatures and chemical environments.
About Tialite
TiAl2O5, commonly known as tialite, is a ceramic oxide that functions as a wide-gap insulator. Its structural characteristics and near-hull thermodynamic stability make it a subject of interest for high-temperature applications where structural integrity is paramount.
As a member of the broader oxide catalyst family, it is valued for its chemical robustness. It is frequently investigated for its potential in specialized industrial environments that require materials capable of withstanding significant thermal stress without degradation.
Key Properties
Cross-validated computational properties for Tialite, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of TiAl2O5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for TiAl2O5, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 2.85 | 0.0130 | -3.244 | — |
| Cmcm (No. 63) | orthorhombic | 2.94 | 0.0156 | -8.457 | 3.72 |
| Cmc21 (No. 36) | orthorhombic | 3.17 | 0.0271 | -8.446 | 3.60 |
| Cmcm (No. 63) | orthorhombic | 2.93 | 0.0312 | -3.263 | — |
| Cmcm (No. 63) | orthorhombic | — | — | — | 3.69 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 3.67 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 3.70 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 3.82 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 3.65 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 3.61 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 3.83 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 3.60 |
Synthesis Routes
Literature-extracted synthesis procedures targeting TiAl2O5.
Applications
Where Tialite is used.
Frequently Asked Questions
Common questions about Tialite, answered from cross-validated data.
What is TiAl2O5?
Tialite is a thermally stable, insulating ceramic oxide used primarily for its resistance to extreme temperatures and chemical environments.
What is TiAl2O5 used for?
What is the band gap of TiAl2O5?
Is TiAl2O5 a metal, semiconductor, or insulator?
Is TiAl2O5 thermodynamically stable?
What is the crystal structure of TiAl2O5?
What is the density of TiAl2O5?
How many polymorphs of TiAl2O5 are known?
How is TiAl2O5 synthesized?
What elements does TiAl2O5 contain?
Where does the data for TiAl2O5 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly active transition metal oxides such as CuO or NiO, which are frequently utilized for their redox-active surface properties, TiAl2O5 acts as a more stable, insulating framework. While it shares the oxide classification with materials like MgAl2O4 or Al2O3, its specific stoichiometry allows for unique structural arrangements that distinguish it from the more common perovskite-structured catalysts like LaMnO3.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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