Y6WO12
Y6WO12 is a stable, insulating oxide compound formed from yttrium, tungsten, and oxygen.
About Y6WO12
Y6WO12 is a complex oxide composed of yttrium, tungsten, and oxygen. As a thermodynamically stable phase located on the convex hull, it exhibits robust structural integrity, making it a subject of interest for researchers investigating high-performance inorganic materials. The compound functions as a wide-band-gap insulator, a characteristic that defines its electronic behavior and potential utility in specialized dielectric applications. Its existence across multiple reported structures highlights its versatility in solid-state chemistry.
Key Properties
Cross-validated computational properties for Y6WO12, 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 Y6WO12. 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 Y6WO12, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 3.47 | 0.0000 | -9.518 | 5.88 |
| — | — | 3.13 | 0.0000 | -3.581 | — |
| R-3 (No. 148) | trigonal | 0.48 | 0.0000 | -3.599 | — |
| R-3 (No. 148) | trigonal | 0.48 | 0.0000 | -3.599 | — |
| R-3 (No. 148) | trigonal | — | — | — | 5.91 |
| R-3 (No. 148) | trigonal | — | — | — | 6.13 |
| R-3 (No. 148) | trigonal | — | — | — | 5.89 |
| R-3 (No. 148) | trigonal | — | — | — | 5.69 |
| R-3 (No. 148) | trigonal | — | — | — | 5.86 |
Applications
Where Y6WO12 is used.
Frequently Asked Questions
Common questions about Y6WO12, answered from cross-validated data.
What is Y6WO12?
Y6WO12 is a stable, insulating oxide compound formed from yttrium, tungsten, and oxygen.
What is Y6WO12 used for?
What is the band gap of Y6WO12?
Is Y6WO12 a metal, semiconductor, or insulator?
Is Y6WO12 thermodynamically stable?
What is the crystal structure of Y6WO12?
What is the density of Y6WO12?
How many polymorphs of Y6WO12 are known?
What elements does Y6WO12 contain?
Where does the data for Y6WO12 come from?
How It Compares
As a distinct oxide phase, Y6WO12 represents a stable configuration within the yttrium-tungsten-oxygen system. While it occupies a unique position in its material class, its stability and insulating nature allow it to serve as a reference point for understanding the phase behavior of similar refractory metal oxides.
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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