TiCu2O3
TiCu2O3 is a semiconducting, metastable spinel oxide being studied for its potential catalytic properties.
About TiCu2O3
TiCu2O3 is a semiconducting oxide that belongs to the broader family of spinel-related materials. Its electronic character suggests potential utility in catalytic processes where charge transfer and surface reactivity are critical for performance.
While the material is characterized by its position above the thermodynamic hull, indicating inherent instability under standard conditions, it remains a subject of interest for structural studies. Researchers investigate such phases to understand the limits of spinel-type architectures and their influence on catalytic behavior.
Key Properties
Cross-validated computational properties for TiCu2O3, 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.
Reported Structures
Lowest-energy structures reported for TiCu2O3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.93 | 0.1086 | -7.124 | 5.20 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.20 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.44 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.35 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where TiCu2O3 is used.
Frequently Asked Questions
Common questions about TiCu2O3, answered from cross-validated data.
What is TiCu2O3?
TiCu2O3 is a semiconducting, metastable spinel oxide being studied for its potential catalytic properties.
What is TiCu2O3 used for?
What is the band gap of TiCu2O3?
Is TiCu2O3 a metal, semiconductor, or insulator?
Is TiCu2O3 thermodynamically stable?
What is the crystal structure of TiCu2O3?
What is the density of TiCu2O3?
How many polymorphs of TiCu2O3 are known?
What elements does TiCu2O3 contain?
Where does the data for TiCu2O3 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike highly stable and widely utilized oxides such as MgAl2O4 or the simple binary oxides like NiO and ZnO, TiCu2O3 is a more complex and less thermodynamically robust member of the spinel oxide class. While perovskite-structured oxides like LaMnO3 are frequently employed for their structural integrity in catalysis, TiCu2O3 represents a more challenging, metastable phase that requires careful synthesis to observe.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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