Lu6WO12
Lu6WO12 is a stable, wide-band-gap insulating oxide composed of lutetium, tungsten, and oxygen.
About Lu6WO12
Lu6WO12 is a complex oxide composed of lutetium, tungsten, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions. Its electronic character is defined by a wide-band-gap insulating nature, which is a hallmark of many high-performance dielectric materials. This combination of stability and insulating behavior makes it a subject of interest for researchers investigating specialized oxide systems. The material is typically studied for its potential roles in high-temperature applications or as a host lattice for luminescent dopants, where its stable structure provides a reliable environment for optical activity. Its existence as a well-defined compound underscores the importance of rare-earth tungstate systems in modern materials discovery.
Key Properties
Cross-validated computational properties for Lu6WO12, aggregated across 2 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 Lu6WO12. 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 Lu6WO12, 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 | 3.44 | 0.0000 | -9.011 | 9.98 |
| — | — | 3.21 | 0.0000 | -3.690 | — |
| R-3 (No. 148) | trigonal | 2.90 | 0.0000 | -3.673 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Lu6WO12.
Applications
Where Lu6WO12 is used.
Frequently Asked Questions
Common questions about Lu6WO12, answered from cross-validated data.
What is Lu6WO12?
Lu6WO12 is a stable, wide-band-gap insulating oxide composed of lutetium, tungsten, and oxygen.
What is Lu6WO12 used for?
What is the band gap of Lu6WO12?
Is Lu6WO12 a metal, semiconductor, or insulator?
Is Lu6WO12 thermodynamically stable?
What is the crystal structure of Lu6WO12?
What is the density of Lu6WO12?
How many polymorphs of Lu6WO12 are known?
How is Lu6WO12 synthesized?
What elements does Lu6WO12 contain?
Where does the data for Lu6WO12 come from?
How It Compares
As a stable, wide-gap insulating oxide, Lu6WO12 serves as a foundational example of how rare-earth elements can be integrated with transition metal oxides to create distinct, thermodynamically favored crystalline phases. While it occupies a unique space in the current database, it reflects the broader class of lutetium-based tungstates that are valued for their chemical durability and electronic passivity.
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)
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