Y2W2O9
Y2W2O9 is a metastable, insulating oxide of yttrium and tungsten used primarily in materials science research.
About Y2W2O9
Y2W2O9 is a complex oxide composed of yttrium, tungsten, and oxygen. As a wide-gap insulator, it exhibits electronic properties typical of dielectric materials, making it a subject of interest for fundamental solid-state studies.
Despite its metastable nature, the compound has garnered significant attention in structural databases, reflecting a high level of research interest. Its unique atomic arrangement provides a distinct profile for researchers investigating the stability and phase behavior of rare-earth tungstates.
Key Properties
Cross-validated computational properties for Y2W2O9, 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 Y2W2O9. 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 Y2W2O9, 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 | 2.92 | 0.0000 | -3.024 | — |
| — | — | 3.30 | 0.0157 | -3.023 | — |
| P21/c (No. 14) | monoclinic | 3.46 | 0.0270 | -9.337 | 6.97 |
| Cmcm (No. 63) | orthorhombic | 2.47 | 0.0580 | -18.109 | 7.17 |
| C2221 (No. 20) | orthorhombic | 2.34 | 0.0684 | -9.295 | 6.87 |
| P-1 (No. 2) | triclinic | 3.19 | 0.0700 | -9.294 | 6.84 |
| Pbcn (No. 60) | orthorhombic | 1.97 | 0.0730 | -9.291 | 6.52 |
| P-1 (No. 2) | triclinic | — | — | — | 6.84 |
| P-1 (No. 2) | triclinic | — | — | — | 7.62 |
| P-1 (No. 2) | triclinic | — | — | — | 7.04 |
Applications
Where Y2W2O9 is used.
Frequently Asked Questions
Common questions about Y2W2O9, answered from cross-validated data.
What is Y2W2O9?
Y2W2O9 is a metastable, insulating oxide of yttrium and tungsten used primarily in materials science research.
What is Y2W2O9 used for?
What is the band gap of Y2W2O9?
Is Y2W2O9 a metal, semiconductor, or insulator?
Is Y2W2O9 thermodynamically stable?
What is the crystal structure of Y2W2O9?
What is the density of Y2W2O9?
How many polymorphs of Y2W2O9 are known?
What elements does Y2W2O9 contain?
Where does the data for Y2W2O9 come from?
How It Compares
As a specialized oxide, Y2W2O9 occupies a distinct position in the landscape of ternary yttrium-tungsten compounds. While it lacks direct structural siblings in this context, it serves as a critical reference point for understanding the phase space of metastable oxides that do not easily conform to standard thermodynamic equilibrium patterns.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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