O2WZn
Zinc tungstate · ZnWO4
Zinc tungstate is a crystalline inorganic compound that functions as a metal oxide semiconductor. It is primarily utilized for its optical properties, particularly its ability to emit light when exposed to high-energy radiation.
Overview
Key Properties
Cross-validated computational properties for Zinc tungstate, aggregated across 4 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.
0.02–0.71 eV
Range across DFT structures
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.
0.223 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
27
4 databases, 14 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of O2WZn. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
1
materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for O2WZn, 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 | 0.09 | 0.2230 | -8.308 | 8.68 |
| P1 (No. 1) | triclinic | 0.10 | 0.2252 | -8.824 | 7.98 |
| P1 (No. 1) | triclinic | 0.14 | 0.2301 | -8.301 | 8.66 |
| Fd-3m (No. 227) | cubic | 0.71 | 0.2737 | -8.257 | 8.80 |
| Cm (No. 8) | monoclinic | 0.00 | 0.3135 | -8.217 | 8.84 |
| P3m1 (No. 156) | trigonal | 0.02 | 0.3570 | -8.174 | 8.82 |
| I4/m (No. 87) | tetragonal | 0.00 | 0.3625 | -8.687 | 7.97 |
| R3m (No. 160) | trigonal | 0.16 | 0.3873 | -8.143 | 8.82 |
| Pbcm (No. 57) | orthorhombic | 0.70 | 0.3905 | -8.140 | 9.41 |
| R-3m (No. 166) | trigonal | 0.00 | 0.4077 | -8.642 | 8.43 |
| P1 (No. 1) | triclinic | 0.65 | 0.4123 | -8.118 | 8.56 |
| Cmcm (No. 63) | orthorhombic | 0.15 | 0.4214 | -8.109 | 9.52 |
Uses
Applications
Where Zinc tungstate is used.
Scintillation detectorsPhotocatalysisOptical materialsLuminescent devices
Reference
Frequently Asked Questions
Common questions about Zinc tungstate, answered from cross-validated data.
What is O2WZn?
Zinc tungstate is a crystalline inorganic compound that functions as a metal oxide semiconductor. It is primarily utilized for its optical properties, particularly its ability to emit light when exposed to high-energy radiation.
More questions
What is O2WZn used for?
Zinc tungstate (O2WZn) is used in scintillation detectors, photocatalysis, optical materials, and luminescent devices.
What is the band gap of O2WZn?
Zinc tungstate (O2WZn) has a DFT-computed band gap of 0.02–0.71 eV across 27 reported structures.
Is O2WZn a metal, semiconductor, or insulator?
With a band gap up to 0.71 eV it is a semiconductor.
Is O2WZn thermodynamically stable?
Zinc tungstate (O2WZn) has a lowest energy above hull of 0.223 eV/atom (above hull).
What is the crystal structure of O2WZn?
The lowest-energy reported polymorph of Zinc tungstate (O2WZn) is triclinic symmetry, space group P-1 (No. 2).
What is the density of O2WZn?
The computed density of the ground-state structure of Zinc tungstate (O2WZn) is 8.68 g/cm³.
How many polymorphs of O2WZn are known?
27 structures of O2WZn are reported across 4 databases, spanning 14 distinct space groups.
What elements does O2WZn contain?
Zinc tungstate (O2WZn) contains O, W, and Zn (3 elements).
Where does the data for O2WZn come from?
O2WZn data is cross-referenced from materials_project, alexandria, cod, omat24.
Explore
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).
- alexandria — Data from alexandria.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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