VO2
Vanadium dioxide · Vanadium(IV) oxide
Vanadium dioxide is an inorganic compound known for its unique ability to undergo a reversible phase transition when exposed to changes in environmental conditions. This material is widely studied for its potential to switch between insulating and metallic states, making it a subject of significant interest for advanced electronic and optical technologies.
Key Properties
Cross-validated computational properties for Vanadium dioxide, aggregated across 4 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.
Reported Structures
Lowest-energy structures reported for VO2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.76 | 0.0000 | -8.849 | 4.07 |
| Pbca (No. 61) | orthorhombic | 0.89 | 0.0119 | -8.837 | 4.48 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0168 | -8.832 | 4.11 |
| Pnma (No. 62) | orthorhombic | 1.38 | 0.0259 | -8.781 | 2.83 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0397 | -8.809 | 2.92 |
| P42/mnm (No. 136) | tetragonal | 0.00 | 0.0422 | -8.807 | 4.45 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0430 | -8.806 | 4.47 |
| Pnnm (No. 58) | orthorhombic | 0.00 | 0.0438 | -8.805 | 4.47 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0478 | -8.801 | 3.89 |
| P-1 (No. 2) | triclinic | 0.55 | 0.0636 | -8.785 | 4.11 |
| I4/m (No. 87) | tetragonal | 0.76 | 0.0670 | -8.782 | 3.84 |
| C2/m (No. 12) | monoclinic | 0.65 | 0.0671 | -8.782 | 4.41 |
Applications
Where Vanadium dioxide is used.
Frequently Asked Questions
Common questions about Vanadium dioxide, answered from cross-validated data.
What is VO2?
Vanadium dioxide is an inorganic compound known for its unique ability to undergo a reversible phase transition when exposed to changes in environmental conditions. This material is widely studied for its potential to switch between insulating and metallic states, making it a subject of significant interest for advanced electronic and optical technologies.
What is VO2 used for?
What is the band gap of VO2?
Is VO2 a metal, semiconductor, or insulator?
Is VO2 thermodynamically stable?
What is the crystal structure of VO2?
What is the density of VO2?
How many polymorphs of VO2 are known?
What elements does VO2 contain?
Where does the data for VO2 come from?
Related Compounds
Other Electrochromic and Refractory-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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