ZnSbO3
ZnSbO3 is a stable, semiconducting ternary oxide used primarily in the field of catalytic materials research.
About ZnSbO3
ZnSbO3 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a member of the spinel oxide catalyst family, it offers a robust framework for chemical transformations where electronic properties and structural integrity are paramount. Its existence across multiple reported structures highlights its versatility in solid-state chemistry. This compound is primarily investigated for its catalytic potential, where its specific electronic character facilitates surface reactions. By leveraging its stable crystalline arrangement, researchers aim to optimize its performance in various industrial and environmental catalytic processes.
Key Properties
Cross-validated computational properties for ZnSbO3, 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 ZnSbO3. 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 ZnSbO3, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.31 | 0.1459 | -1.392 | — |
| P21/m (No. 11) | monoclinic | 0.35 | 0.1613 | -5.709 | 6.35 |
| — | — | 0.00 | 0.5867 | -1.068 | — |
| — | — | 0.00 | 0.7968 | -0.858 | — |
| P21/m (No. 11) | monoclinic | — | — | — | 6.35 |
| P21/m (No. 11) | monoclinic | — | — | — | 6.60 |
| P21/m (No. 11) | monoclinic | — | — | — | 6.85 |
Applications
Where ZnSbO3 is used.
Frequently Asked Questions
Common questions about ZnSbO3, answered from cross-validated data.
What is ZnSbO3?
ZnSbO3 is a stable, semiconducting ternary oxide used primarily in the field of catalytic materials research.
What is ZnSbO3 used for?
What is the band gap of ZnSbO3?
Is ZnSbO3 a metal, semiconductor, or insulator?
Is ZnSbO3 thermodynamically stable?
What is the crystal structure of ZnSbO3?
How many polymorphs of ZnSbO3 are known?
What elements does ZnSbO3 contain?
Where does the data for ZnSbO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike simple binary oxides such as ZnO or NiO, ZnSbO3 features a more complex ternary structure that allows for greater tuning of its catalytic properties. While classic spinel structures like MgAl2O4 are often studied for their structural stability, ZnSbO3 distinguishes itself by combining this stability with semiconducting behavior, making it a compelling alternative to perovskite-based catalysts like LaMnO3 or LaAlO3 in specialized chemical applications.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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