Ti4ZnO9
Ti4ZnO9 is a semiconducting ternary oxide belonging to the spinel catalyst family that is currently studied for its unique structural and electronic properties.
About Ti4ZnO9
Ti4ZnO9 is an complex oxide belonging to the spinel-related class of materials. Characterized by its semiconducting electronic nature, this compound represents a specialized arrangement of titanium, zinc, and oxygen atoms that is of interest for fundamental studies in solid-state chemistry.
While this material exhibits a complex structural profile with multiple reported configurations, it is identified as being thermodynamically metastable. Its position relative to the stability hull suggests that its synthesis and application are subjects of ongoing investigation in materials science research.
Key Properties
Cross-validated computational properties for Ti4ZnO9, 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 Ti4ZnO9, 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. |
|---|---|---|---|---|---|
| P4/n (No. 85) | tetragonal | 2.70 | 0.1685 | -8.621 | 3.66 |
| P4/n (No. 85) | — | — | — | — | — |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.74 |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.66 |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.85 |
Applications
Where Ti4ZnO9 is used.
Frequently Asked Questions
Common questions about Ti4ZnO9, answered from cross-validated data.
What is Ti4ZnO9?
Ti4ZnO9 is a semiconducting ternary oxide belonging to the spinel catalyst family that is currently studied for its unique structural and electronic properties.
What is Ti4ZnO9 used for?
What is the band gap of Ti4ZnO9?
Is Ti4ZnO9 a metal, semiconductor, or insulator?
Is Ti4ZnO9 thermodynamically stable?
What is the crystal structure of Ti4ZnO9?
What is the density of Ti4ZnO9?
How many polymorphs of Ti4ZnO9 are known?
What elements does Ti4ZnO9 contain?
Where does the data for Ti4ZnO9 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized MgAl2O4 spinel or the robust binary oxides like ZnO and Al2O3, Ti4ZnO9 is a more exotic and less thermodynamically favored member of the oxide catalyst family. While perovskite-structured oxides like LaMnO3 or LaNiO3 are frequently employed for their catalytic redox activity, Ti4ZnO9 occupies a niche space as a metastable semiconducting candidate that requires specific synthesis conditions to stabilize.
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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