Zn2CuWO6
Zn2CuWO6 is a metastable semiconducting quaternary oxide composed of zinc, copper, tungsten, and oxygen.
About Zn2CuWO6
Zn2CuWO6 is a complex quaternary oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized configuration of zinc, copper, tungsten, and oxygen atoms that offers unique structural pathways for materials scientists investigating oxide chemistry.
Its significance lies in the interplay between its constituent transition metals and the oxygen framework. While it exists in a metastable state, the multiple reported structural variants suggest a flexible lattice capable of accommodating different atomic arrangements, which is a key area of interest for functional material design.
Key Properties
Cross-validated computational properties for Zn2CuWO6, 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 Zn2CuWO6, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.35 | 0.0804 | -6.627 | 6.82 |
| P21/c (No. 14) | monoclinic | 0.10 | 0.0985 | -6.609 | 7.13 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.13 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.75 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.36 |
| P1 (No. 1) | Triclinic | — | — | — | 6.82 |
| P1 (No. 1) | Triclinic | — | — | — | 7.50 |
| P1 (No. 1) | Triclinic | — | — | — | 7.06 |
Applications
Where Zn2CuWO6 is used.
Frequently Asked Questions
Common questions about Zn2CuWO6, answered from cross-validated data.
What is Zn2CuWO6?
Zn2CuWO6 is a metastable semiconducting quaternary oxide composed of zinc, copper, tungsten, and oxygen.
What is Zn2CuWO6 used for?
What is the band gap of Zn2CuWO6?
Is Zn2CuWO6 a metal, semiconductor, or insulator?
Is Zn2CuWO6 thermodynamically stable?
What is the crystal structure of Zn2CuWO6?
What is the density of Zn2CuWO6?
How many polymorphs of Zn2CuWO6 are known?
What elements does Zn2CuWO6 contain?
Where does the data for Zn2CuWO6 come from?
How It Compares
As a member of the quaternary oxide family, Zn2CuWO6 occupies a distinct niche where its stability and electronic properties are dictated by the specific coordination environment of the copper and tungsten centers. Unlike more common, highly stable binary oxides, this compound serves as a prime example of how complex stoichiometry can be leveraged to tune semiconducting behavior in specialized synthetic applications.
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.
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