CrWO4
CrWO4 is a thermodynamically stable semiconducting oxide utilized in the development of advanced catalytic materials.
About CrWO4
CrWO4 is a semiconducting oxide that holds a distinct position within the family of spinel-related materials. As a thermodynamically stable phase located on the convex hull, it exhibits structural integrity that makes it a compelling subject for materials research and catalytic development. Its electronic character suggests potential utility in applications where charge transport and surface reactivity are critical. The compound is well-documented in structural databases, reflecting significant interest in its crystalline arrangement and potential for chemical tuning. By leveraging the interplay between chromium and tungsten centers, this material offers a unique platform for exploring complex redox processes in catalytic environments.
Key Properties
Cross-validated computational properties for CrWO4, 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 CrWO4. 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 CrWO4, 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. |
|---|---|---|---|---|---|
| — | — | 0.56 | 0.0000 | -2.414 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0000 | -9.348 | 7.84 |
| — | — | 0.38 | 0.0035 | -2.410 | — |
| — | — | 1.84 | 0.0053 | -2.409 | — |
| — | — | 0.00 | 0.0132 | -2.401 | — |
| Fmmm (No. 69) | orthorhombic | 0.00 | 0.0328 | -9.315 | 7.32 |
| — | — | 1.07 | 0.0513 | -2.363 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0627 | -9.285 | 7.30 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0668 | -2.167 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0835 | -2.151 | — |
| C2/m (No. 12) | monoclinic | 1.66 | 0.0864 | -9.262 | 7.50 |
| — | — | 0.73 | 0.1281 | -2.286 | — |
Applications
Where CrWO4 is used.
Frequently Asked Questions
Common questions about CrWO4, answered from cross-validated data.
What is CrWO4?
CrWO4 is a thermodynamically stable semiconducting oxide utilized in the development of advanced catalytic materials.
What is CrWO4 used for?
What is the band gap of CrWO4?
Is CrWO4 a metal, semiconductor, or insulator?
Is CrWO4 thermodynamically stable?
What is the crystal structure of CrWO4?
What is the density of CrWO4?
How many polymorphs of CrWO4 are known?
What elements does CrWO4 contain?
Where does the data for CrWO4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broad class of spinel and related oxide catalysts, CrWO4 occupies a specialized niche compared to simpler binary oxides like ZnO or NiO. While materials such as MgAl2O4 serve as classic structural benchmarks, CrWO4 provides a more complex electronic environment, positioning it closer in functional complexity to perovskite-structured oxides like LaMnO3 or LaNiO3, which are frequently investigated for their tunable catalytic activity.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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