V2O3
vanadium(III) oxide · vanadium sesquioxide
V2O3 is a thermodynamically stable, semiconducting vanadium oxide used as a key material in the study of refractory-metal oxide properties.
About vanadium(III) oxide
Vanadium(III) oxide is a prominent refractory-metal oxide known for its robust thermodynamic stability. As a semiconducting material, it serves as a foundational compound in the study of transition metal oxides, characterized by its reliable structural integrity across numerous experimental observations.
The material is highly regarded in the field of materials science due to its well-defined crystalline phases. Its electronic properties make it a subject of significant interest for researchers developing next-generation functional devices that rely on the precise control of charge transport and structural transitions.
Key Properties
Cross-validated computational properties for vanadium(III) oxide, 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 V2O3. 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 V2O3, 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. |
|---|---|---|---|---|---|
| — | — | 0.32 | 0.0000 | -2.630 | — |
| R-3c (No. 167) | trigonal | 0.00 | 0.0000 | -2.485 | — |
| Ia-3 (No. 206) | cubic | 0.00 | 0.0000 | -9.137 | 4.54 |
| — | — | 0.43 | 0.0014 | -2.629 | — |
| — | — | — | 0.0023 | -2.628 | — |
| R-3c (No. 167) | trigonal | 0.00 | 0.0087 | -9.128 | 4.95 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0194 | -9.117 | 4.64 |
| — | — | 1.07 | 0.0287 | -2.602 | — |
| Pbca (No. 61) | orthorhombic | 0.62 | 0.0307 | -9.106 | 4.70 |
| — | — | 0.00 | 0.0347 | -2.596 | — |
| P21/m (No. 11) | monoclinic | 0.91 | 0.0606 | -9.076 | 4.74 |
| — | — | 0.00 | 0.0645 | -2.566 | — |
Applications
Where vanadium(III) oxide is used.
Frequently Asked Questions
Common questions about vanadium(III) oxide, answered from cross-validated data.
What is V2O3?
V2O3 is a thermodynamically stable, semiconducting vanadium oxide used as a key material in the study of refractory-metal oxide properties.
What is V2O3 used for?
What is the band gap of V2O3?
Is V2O3 a metal, semiconductor, or insulator?
Is V2O3 thermodynamically stable?
What is the crystal structure of V2O3?
How many polymorphs of V2O3 are known?
What elements does V2O3 contain?
Where does the data for V2O3 come from?
How It Compares
Within the electrochromic and refractory-metal oxides class.
Within the family of refractory-metal oxides, V2O3 occupies a distinct niche compared to its more highly oxidized sibling V2O5. While V2O5 is frequently utilized for its rapid electrochromic switching and catalytic potential, V2O3 provides a more stable, lower-valence baseline that is essential for understanding the broader electronic behavior of the vanadium-oxygen system alongside other members like MoO2 and WO3.
Related Compounds
Other Electrochromic and Refractory-Metal Oxides in the database.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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