W3O8
W3O8 is a semiconducting tungsten oxide that serves as a structurally diverse material with potential applications in electrochromic technology.
About W3O8
W3O8 is a semiconducting oxide composed of tungsten and oxygen, existing as a distinct phase within the rich landscape of refractory-metal oxides. Its status as a near-hull material suggests that it is a viable candidate for synthesis and experimental investigation in various solid-state applications.
Due to its electronic properties, this compound is of significant interest for researchers developing next-generation electrochromic materials. Its structural versatility, evidenced by numerous reported configurations, positions it as a compelling subject for studies into tunable optical and electronic behavior.
Key Properties
Cross-validated computational properties for W3O8, 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 W3O8. 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 W3O8, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0000 | -2.358 | — |
| Cm (No. 8) | monoclinic | 0.73 | 0.0093 | -9.272 | 8.38 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0243 | -9.257 | 8.90 |
| — | — | 0.00 | 0.0310 | -2.341 | — |
| Pbam (No. 55) | orthorhombic | 0.00 | 0.0720 | -9.209 | 7.67 |
| P2/c (No. 13) | monoclinic | 1.82 | 0.0906 | -9.191 | 7.89 |
| P-1 (No. 2) | triclinic | 2.47 | 0.1481 | -9.133 | 6.36 |
| C2/m (No. 12) | monoclinic | 1.62 | 0.3123 | -8.969 | 6.71 |
| C2/m (No. 12) | monoclinic | 0.10 | 0.3555 | -2.003 | — |
| P63mc (No. 186) | hexagonal | 1.63 | 0.3726 | -8.909 | 6.72 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 9.93 |
| P21212 (No. 18) | orthorhombic | — | — | — | 8.26 |
Applications
Where W3O8 is used.
Frequently Asked Questions
Common questions about W3O8, answered from cross-validated data.
What is W3O8?
W3O8 is a semiconducting tungsten oxide that serves as a structurally diverse material with potential applications in electrochromic technology.
What is W3O8 used for?
What is the band gap of W3O8?
Is W3O8 a metal, semiconductor, or insulator?
Is W3O8 thermodynamically stable?
What is the crystal structure of W3O8?
What is the density of W3O8?
How many polymorphs of W3O8 are known?
What elements does W3O8 contain?
Where does the data for W3O8 come from?
How It Compares
Within the electrochromic and refractory-metal oxides class.
Within the family of refractory-metal oxides, W3O8 occupies a unique niche compared to more common counterparts like WO3 or V2O5. While WO3 is widely recognized for its robust electrochromic performance, W3O8 offers a different structural stoichiometry that provides researchers with a valuable alternative for exploring how oxidation states and crystal symmetry influence semiconducting behavior in transition metal oxides.
Related Compounds
Other Electrochromic and Refractory-Metal Oxides in the database.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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