CuWO4
copper(II) tungstate · cupric tungstate
CuWO4 is a semiconducting, metastable copper tungstate compound utilized in specialized catalytic research and material science applications.
About copper(II) tungstate
CuWO4 is a semiconducting oxide that functions as a notable member of the broader class of spinel-related catalysts. Its structural configuration and electronic properties make it a subject of interest for researchers investigating efficient surface reactions and charge transport mechanisms in complex oxides. Although it exists in a metastable state, its unique chemical environment allows it to participate in various catalytic pathways where electronic flexibility is required. The material is primarily studied for its potential in advanced chemical processing and energy-related applications where stable, active surfaces are essential for driving specific redox reactions. Its ability to facilitate electron transfer makes it a compelling candidate for specialized catalytic systems.
Key Properties
Cross-validated computational properties for copper(II) tungstate, 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 CuWO4. 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 CuWO4, 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. |
|---|---|---|---|---|---|
| — | — | 1.12 | 0.0040 | -1.904 | — |
| — | — | 1.09 | 0.0154 | -1.892 | — |
| P-1 (No. 2) | triclinic | 0.00 | 0.0227 | -1.808 | — |
| — | — | 0.74 | 0.0253 | -1.882 | — |
| — | — | 1.29 | 0.0363 | -1.871 | — |
| P-1 (No. 2) | triclinic | 0.00 | 0.0740 | -7.842 | 7.48 |
| — | — | 1.27 | 0.0821 | -1.826 | — |
| — | — | 0.00 | 0.0848 | -1.823 | — |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0874 | -7.829 | 7.63 |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0889 | -7.827 | 7.67 |
| — | — | 0.57 | 0.1011 | -1.807 | — |
| P21/c (No. 14) | monoclinic | 0.44 | 0.1576 | -7.759 | 5.54 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CuWO4.
Applications
Where copper(II) tungstate is used.
Frequently Asked Questions
Common questions about copper(II) tungstate, answered from cross-validated data.
What is CuWO4?
CuWO4 is a semiconducting, metastable copper tungstate compound utilized in specialized catalytic research and material science applications.
What is CuWO4 used for?
What is the band gap of CuWO4?
Is CuWO4 a metal, semiconductor, or insulator?
Is CuWO4 thermodynamically stable?
What is the crystal structure of CuWO4?
How many polymorphs of CuWO4 are known?
How is CuWO4 synthesized?
What elements does CuWO4 contain?
Where does the data for CuWO4 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable, common structural standards like MgAl2O4 or the simple binary oxides such as CuO and ZnO, CuWO4 occupies a more nuanced position as a metastable complex oxide. While materials like LaMnO3 or LaNiO3 are frequently utilized for their robust perovskite-based catalytic performance, CuWO4 offers a distinct alternative for applications requiring specific semiconducting characteristics that differ from the more traditional spinel or perovskite frameworks.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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