WO2
Tungsten dioxide · Tungsten(IV) oxide
Tungsten dioxide is a thermodynamically stable, semiconducting transition metal oxide frequently studied for its role in electrochromic technology and refractory material applications.
About Tungsten dioxide
Tungsten dioxide is a robust refractory-metal oxide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it serves as a critical material for researchers investigating the complex redox behaviors of transition metal oxides. Its structural versatility is highlighted by the extensive number of reported crystallographic arrangements found in materials databases. This compound is primarily utilized in the development of electrochromic devices and as a precursor for specialized tungsten-based thin films. Its ability to maintain structural integrity under various conditions makes it a foundational component in the study of metal-insulator transitions and catalytic processes.
Key Properties
Cross-validated computational properties for Tungsten dioxide, 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 WO2. 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 WO2, 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. |
|---|---|---|---|---|---|
| P42/mnm (No. 136) | tetragonal | 0.00 | 0.0000 | -9.655 | 9.60 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0000 | -23.172 | 10.68 |
| — | — | 0.00 | 0.0000 | -2.177 | — |
| — | — | 0.74 | 0.0015 | -2.175 | — |
| — | — | 1.54 | 0.0130 | -2.164 | — |
| — | — | 1.29 | 0.0142 | -2.163 | — |
| — | — | 0.00 | 0.0415 | -2.135 | — |
| — | — | 0.00 | 0.0570 | -2.120 | — |
| — | — | 0.00 | 0.0577 | -2.119 | — |
| I4/m (No. 87) | tetragonal | 2.33 | 0.1059 | -9.549 | 7.66 |
| Pnma (No. 62) | orthorhombic | 2.48 | 0.1086 | -9.546 | 8.41 |
| — | — | 0.00 | 0.1274 | -2.049 | — |
Applications
Where Tungsten dioxide is used.
Frequently Asked Questions
Common questions about Tungsten dioxide, answered from cross-validated data.
What is WO2?
Tungsten dioxide is a thermodynamically stable, semiconducting transition metal oxide frequently studied for its role in electrochromic technology and refractory material applications.
What is WO2 used for?
What is the band gap of WO2?
Is WO2 a metal, semiconductor, or insulator?
Is WO2 thermodynamically stable?
What is the crystal structure of WO2?
What is the density of WO2?
How many polymorphs of WO2 are known?
What elements does WO2 contain?
Where does the data for WO2 come from?
How It Compares
Within the electrochromic and refractory-metal oxides class.
Within the family of refractory-metal oxides, tungsten dioxide occupies a distinct niche compared to its more oxidized counterpart, tungsten trioxide. While tungsten trioxide is widely recognized for its prominent electrochromic properties, tungsten dioxide offers a different electronic profile that complements the behavior of molybdenum-based oxides like molybdenum dioxide and molybdenum trioxide. It shares the structural complexity inherent to the transition metal oxide class, standing alongside niobium oxides such as niobium dioxide and niobium pentoxide as a key subject for understanding valence state stability.
Related Compounds
Other Electrochromic and Refractory-Metal Oxides in the database.
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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