Y2WO6
Y2WO6 is a stable, wide-band-gap insulating oxide that exists in multiple structural forms.
About Y2WO6
Y2WO6 is a complex oxide that exhibits a wide-band-gap insulating character, making it an intriguing subject for research into dielectric and optical materials. Its status as a thermodynamically stable phase on the convex hull suggests a robust structural arrangement that resists decomposition under standard conditions.
With multiple reported structural variations across various databases, this compound offers a rich landscape for crystallographic study. Its stability and electronic properties position it as a candidate for specialized applications where insulation and structural integrity are paramount.
Key Properties
Cross-validated computational properties for Y2WO6, 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 Y2WO6. 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 Y2WO6, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 3.18 | 0.0000 | -9.463 | 6.77 |
| — | — | 3.48 | 0.0035 | -3.299 | — |
| — | — | 3.50 | 0.0054 | -3.297 | — |
| P212121 (No. 19) | orthorhombic | 3.17 | 0.0120 | -9.451 | 6.23 |
| P212121 (No. 19) | orthorhombic | 3.36 | 0.0149 | -9.448 | 6.48 |
| Pmmn (No. 59) | orthorhombic | 2.49 | 0.0943 | -3.173 | — |
| Pmmn (No. 59) | orthorhombic | 2.68 | 0.1206 | -9.342 | 6.33 |
| P212121 (No. 19) | orthorhombic | — | — | — | 6.50 |
| P212121 (No. 19) | orthorhombic | — | — | — | 6.49 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 6.33 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 6.53 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 6.99 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Y2WO6.
Applications
Where Y2WO6 is used.
Frequently Asked Questions
Common questions about Y2WO6, answered from cross-validated data.
What is Y2WO6?
Y2WO6 is a stable, wide-band-gap insulating oxide that exists in multiple structural forms.
What is Y2WO6 used for?
What is the band gap of Y2WO6?
Is Y2WO6 a metal, semiconductor, or insulator?
Is Y2WO6 thermodynamically stable?
What is the crystal structure of Y2WO6?
What is the density of Y2WO6?
How many polymorphs of Y2WO6 are known?
How is Y2WO6 synthesized?
What elements does Y2WO6 contain?
Where does the data for Y2WO6 come from?
How It Compares
As a distinct oxide, Y2WO6 occupies a unique niche within its material class, serving as a stable building block for complex inorganic systems. Without direct structural siblings in this specific grouping, it stands as a primary reference point for understanding the interplay between yttrium, tungsten, and oxygen in stable, wide-gap lattice configurations.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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