Cu8O16W4
Cu8O16W4 is a metastable semiconducting spinel oxide used in research for its unique electronic and structural properties in catalytic applications.
About Cu8O16W4
Cu8O16W4 is a complex semiconducting spinel oxide that represents a specialized member of the broader oxide catalyst family. Its metastable nature suggests a unique structural configuration that can be leveraged for specific chemical reactivity, distinguishing it from more common, highly stable oxides.
As a semiconducting material, this compound is of significant interest for researchers investigating electronic charge transfer in catalytic environments. Its structural complexity and the interplay between copper and tungsten ions within the oxygen framework provide a versatile platform for exploring advanced surface chemistry and potential industrial applications.
Key Properties
Cross-validated computational properties for Cu8O16W4, 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 Cu8O16W4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.32 | 0.0798 | -7.298 | 6.67 |
| P1 (No. 1) | triclinic | 1.34 | 0.0841 | -7.294 | 6.78 |
| P-1 (No. 2) | triclinic | 0.94 | 0.1350 | -7.243 | 6.17 |
| P-1 (No. 2) | triclinic | 0.70 | 0.2289 | -7.149 | 5.48 |
| P-1 (No. 2) | triclinic | 0.95 | 0.2812 | -7.097 | 5.84 |
| P-1 (No. 2) | triclinic | 0.02 | 0.8710 | -6.507 | 6.12 |
| P-1 (No. 2) | triclinic | 0.00 | 3.5522 | -3.826 | 6.12 |
| — | — | — | — | — | 5.07 |
| — | — | — | — | — | 3.42 |
| P1 (No. 1) | — | — | — | — | — |
| — | — | — | — | — | 5.37 |
| — | — | — | — | — | 5.49 |
Applications
Where Cu8O16W4 is used.
Frequently Asked Questions
Common questions about Cu8O16W4, answered from cross-validated data.
What is Cu8O16W4?
Cu8O16W4 is a metastable semiconducting spinel oxide used in research for its unique electronic and structural properties in catalytic applications.
What is Cu8O16W4 used for?
What is the band gap of Cu8O16W4?
Is Cu8O16W4 a metal, semiconductor, or insulator?
Is Cu8O16W4 thermodynamically stable?
What is the crystal structure of Cu8O16W4?
What is the density of Cu8O16W4?
How many polymorphs of Cu8O16W4 are known?
What elements does Cu8O16W4 contain?
Where does the data for Cu8O16W4 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized binary oxides such as CuO or ZnO, Cu8O16W4 exists in a metastable state that offers distinct coordination environments for catalytic activity. While traditional spinels like MgAl2O4 are often studied for their structural robustness, this tungsten-containing variant provides a more nuanced electronic profile that bridges the gap between simple transition metal oxides and complex perovskite-structured catalysts like LaMnO3.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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