Sr3WO6
Sr3WO6 is a stable, insulating strontium tungsten oxide used in materials research for its robust electronic and structural properties.
About Sr3WO6
Sr3WO6 is a complex oxide composed of strontium, tungsten, and oxygen. As a thermodynamically stable compound residing on the convex hull, it exhibits robust structural integrity, making it a reliable candidate for high-performance material applications.
Characterized as a wide-band-gap insulator, this material is of significant interest for electronic and optical technologies that require stable dielectric properties. Its structural versatility is evidenced by the multiple reported configurations found in research databases.
Key Properties
Cross-validated computational properties for Sr3WO6, 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 Sr3WO6. 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 Sr3WO6, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.42 | 0.0000 | -7.782 | 6.07 |
| — | — | 3.27 | 0.0000 | -2.989 | — |
| R-3 (No. 148) | trigonal | 3.18 | 0.0000 | -3.016 | — |
| R-3 (No. 148) | trigonal | 3.58 | 0.0157 | -7.767 | 5.60 |
| — | — | 3.27 | 0.0164 | -2.973 | — |
| — | — | 3.11 | 0.0164 | -2.973 | — |
| Cc (No. 9) | monoclinic | 3.44 | 0.0291 | -7.753 | 6.04 |
| P1 (No. 1) | triclinic | 3.46 | 0.0292 | -7.753 | 6.04 |
| — | — | 3.11 | 0.0440 | -2.945 | — |
| P21/c (No. 14) | monoclinic | 0.55 | 0.0529 | -2.963 | — |
| R-3 (No. 148) | trigonal | 0.56 | 0.0747 | -2.941 | — |
| — | — | 3.04 | 0.1346 | -2.855 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sr3WO6.
Applications
Where Sr3WO6 is used.
Frequently Asked Questions
Common questions about Sr3WO6, answered from cross-validated data.
What is Sr3WO6?
Sr3WO6 is a stable, insulating strontium tungsten oxide used in materials research for its robust electronic and structural properties.
What is Sr3WO6 used for?
What is the band gap of Sr3WO6?
Is Sr3WO6 a metal, semiconductor, or insulator?
Is Sr3WO6 thermodynamically stable?
What is the crystal structure of Sr3WO6?
What is the density of Sr3WO6?
How many polymorphs of Sr3WO6 are known?
How is Sr3WO6 synthesized?
What elements does Sr3WO6 contain?
Where does the data for Sr3WO6 come from?
How It Compares
As a distinct oxide within the broader landscape of complex strontium tungstates, Sr3WO6 serves as a foundational reference point for understanding structural stability and insulating behavior in this material family.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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