Zn2W3O8
Zn2W3O8 is a semiconducting, metastable transition metal oxide that serves as a specialized subject of study within the field of spinel-related catalysts.
About Zn2W3O8
Zn2W3O8 is a complex oxide belonging to the spinel-related catalyst family. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating charge transport and catalytic activity in transition metal oxides. The material is characterized by a significant degree of structural diversity, as evidenced by multiple reported crystallographic configurations.
While it shares the structural motifs common to spinel-type oxides, Zn2W3O8 is noted for being thermodynamically metastable. This positioning relative to the ground state suggests that its synthesis and long-term stability are sensitive to processing conditions, which is a critical consideration for its potential integration into functional devices or catalytic systems.
Key Properties
Cross-validated computational properties for Zn2W3O8, 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 Zn2W3O8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.78 | 0.1809 | -8.009 | 8.22 |
| C2/m (No. 12) | monoclinic | 0.13 | 0.2890 | -7.901 | 8.37 |
| P63mc (No. 186) | Hexagonal | — | — | — | 8.22 |
| P63mc (No. 186) | Hexagonal | — | — | — | 9.56 |
| P63mc (No. 186) | Hexagonal | — | — | — | 8.70 |
| P63mc (No. 186) | — | — | — | — | — |
Applications
Where Zn2W3O8 is used.
Frequently Asked Questions
Common questions about Zn2W3O8, answered from cross-validated data.
What is Zn2W3O8?
Zn2W3O8 is a semiconducting, metastable transition metal oxide that serves as a specialized subject of study within the field of spinel-related catalysts.
What is Zn2W3O8 used for?
What is the band gap of Zn2W3O8?
Is Zn2W3O8 a metal, semiconductor, or insulator?
Is Zn2W3O8 thermodynamically stable?
What is the crystal structure of Zn2W3O8?
What is the density of Zn2W3O8?
How many polymorphs of Zn2W3O8 are known?
What elements does Zn2W3O8 contain?
Where does the data for Zn2W3O8 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of spinel and related oxide catalysts, Zn2W3O8 occupies a distinct niche compared to highly stable, prototypical structures like MgAl2O4 or simple binary oxides such as ZnO and NiO. Unlike the more robust and thermodynamically favored members of this group, Zn2W3O8 presents a more complex energetic profile, requiring careful synthesis strategies to stabilize its specific phase for experimental study.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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