ZnMoO3
ZnMoO3 is a metastable semiconducting spinel oxide used primarily in advanced catalytic research.
About ZnMoO3
ZnMoO3 is a semiconducting oxide that belongs to the spinel class of materials. As a metastable compound, it represents a unique structural configuration that offers distinct pathways for surface reactivity and electronic interaction in catalytic environments. Its complex arrangement of zinc, molybdenum, and oxygen atoms makes it a subject of interest for researchers investigating non-equilibrium phase behavior in oxide systems. The material is primarily studied for its potential in specialized catalytic applications where its semiconducting nature can be leveraged to facilitate chemical transformations. By providing a different electronic landscape than traditional stable oxides, ZnMoO3 serves as a valuable candidate for exploring novel catalytic mechanisms in industrial and environmental chemistry.
Key Properties
Cross-validated computational properties for ZnMoO3, 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 ZnMoO3, 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 | 0.00 | 0.0862 | -7.233 | 6.15 |
| Pc (No. 7) | monoclinic | 0.85 | 0.1223 | -7.681 | 5.58 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.15 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.52 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.99 |
Applications
Where ZnMoO3 is used.
Frequently Asked Questions
Common questions about ZnMoO3, answered from cross-validated data.
What is ZnMoO3?
ZnMoO3 is a metastable semiconducting spinel oxide used primarily in advanced catalytic research.
What is ZnMoO3 used for?
What is the band gap of ZnMoO3?
Is ZnMoO3 a metal, semiconductor, or insulator?
Is ZnMoO3 thermodynamically stable?
What is the crystal structure of ZnMoO3?
What is the density of ZnMoO3?
How many polymorphs of ZnMoO3 are known?
What elements does ZnMoO3 contain?
Where does the data for ZnMoO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and common MgAl2O4 spinel or the simple binary oxides like ZnO and NiO, ZnMoO3 exists in a metastable state that requires precise synthesis control. While perovskite-structured oxides like LaAlO3 or LaNiO3 are often favored for their robust structural frameworks, ZnMoO3 offers a distinct catalytic potential derived from its specific electronic character and the unique coordination environment of the molybdenum centers within the spinel lattice.
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.
Analyze ZnMoO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →