Zn3Mo3O8
Zn3Mo3O8 is a metastable, semiconducting ternary oxide utilized in catalytic research for its unique structural and electronic properties.
About Zn3Mo3O8
Zn3Mo3O8 is a complex ternary oxide that functions as a semiconducting material within the broader family of spinel-related catalysts. Its metastable nature makes it a subject of significant interest for researchers investigating phase-sensitive catalytic pathways and structural transformations under varying environmental conditions.
This compound is primarily studied for its potential role in specialized chemical synthesis and surface-mediated reactions. By leveraging its distinct electronic character, scientists aim to utilize its structural framework to facilitate efficient charge transfer in catalytic processes where thermodynamic stability must be balanced against high reactivity.
Key Properties
Cross-validated computational properties for Zn3Mo3O8, 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 Zn3Mo3O8, 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/m (No. 12) | monoclinic | 1.18 | 0.0421 | -7.230 | 5.84 |
| C2/m (No. 12) | monoclinic | 0.13 | 0.0506 | -7.221 | 5.88 |
| R-3m (No. 166) | trigonal | 0.41 | 0.2715 | -7.000 | 6.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.84 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.59 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.19 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Zn3Mo3O8 is used.
Frequently Asked Questions
Common questions about Zn3Mo3O8, answered from cross-validated data.
What is Zn3Mo3O8?
Zn3Mo3O8 is a metastable, semiconducting ternary oxide utilized in catalytic research for its unique structural and electronic properties.
What is Zn3Mo3O8 used for?
What is the band gap of Zn3Mo3O8?
Is Zn3Mo3O8 a metal, semiconductor, or insulator?
Is Zn3Mo3O8 thermodynamically stable?
What is the crystal structure of Zn3Mo3O8?
What is the density of Zn3Mo3O8?
How many polymorphs of Zn3Mo3O8 are known?
What elements does Zn3Mo3O8 contain?
Where does the data for Zn3Mo3O8 come from?
How It Compares
Within the spinel oxide catalysts class.
While simple binary oxides like ZnO and NiO are characterized by high thermodynamic stability and widespread industrial utility, Zn3Mo3O8 represents a more intricate structural arrangement. Unlike the classic spinel MgAl2O4, which serves as a robust structural archetype, Zn3Mo3O8 offers a more specialized electronic environment that distinguishes it from the more common perovskite-type oxides such as LaMnO3 or LaAlO3.
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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