O40Te16Zn8
O40Te16Zn8 is a wide-gap insulating spinel oxide that is theoretically stable and serves as a potential candidate for specialized catalytic applications.
About O40Te16Zn8
O40Te16Zn8 is a complex spinel-structured oxide that functions as a wide-band-gap insulator. Its electronic configuration and structural arrangement make it a subject of interest for researchers investigating specialized catalytic processes where insulating behavior is required.
As a near-hull stable material, it is considered a viable candidate for experimental synthesis. Its role within the broader family of spinel oxides highlights the versatility of oxygen-coordinated zinc and tellurium frameworks in creating stable, functional inorganic architectures.
Key Properties
Cross-validated computational properties for O40Te16Zn8, 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 O40Te16Zn8, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.79 | 0.0182 | -5.605 | 5.46 |
| P42/nbc (No. 133) | tetragonal | 3.01 | 0.0278 | -5.596 | 5.30 |
| — | — | — | — | — | 5.44 |
| No. 0 | unknown | — | — | — | 0.40 |
Applications
Where O40Te16Zn8 is used.
Frequently Asked Questions
Common questions about O40Te16Zn8, answered from cross-validated data.
What is O40Te16Zn8?
O40Te16Zn8 is a wide-gap insulating spinel oxide that is theoretically stable and serves as a potential candidate for specialized catalytic applications.
What is O40Te16Zn8 used for?
What is the band gap of O40Te16Zn8?
Is O40Te16Zn8 a metal, semiconductor, or insulator?
Is O40Te16Zn8 thermodynamically stable?
What is the crystal structure of O40Te16Zn8?
What is the density of O40Te16Zn8?
How many polymorphs of O40Te16Zn8 are known?
What elements does O40Te16Zn8 contain?
Where does the data for O40Te16Zn8 come from?
How It Compares
Within the spinel oxide catalysts class.
While simple binary oxides like ZnO or Al2O3 are foundational materials in the spinel and oxide classes, O40Te16Zn8 represents a more intricate structural variation. Unlike the highly conductive or metallic perovskite-type oxides such as LaNiO3, this compound maintains a distinct insulating character, positioning it as a specialized alternative for applications requiring precise electronic control rather than high carrier mobility.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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