KVO3
potassium metavanadate · potassium vanadium trioxide
Potassium metavanadate is a stable, insulating inorganic compound characterized by its structural diversity and importance in vanadium oxide research.
About potassium metavanadate
Potassium metavanadate is a thermodynamically stable inorganic compound that exists as a wide-gap insulator. Its structural versatility is evidenced by the multiple distinct crystalline arrangements reported in scientific literature, highlighting its significance in solid-state chemistry.
This material serves as a key subject for researchers investigating the behavior of vanadium-based oxides. Due to its stable nature and insulating electronic character, it provides a foundational model for understanding complex metal-oxygen frameworks in potential electronic and catalytic applications.
Key Properties
Cross-validated computational properties for potassium metavanadate, 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 KVO3. 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 KVO3, 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. |
|---|---|---|---|---|---|
| — | — | 3.13 | 0.0000 | -2.370 | — |
| Pbcm (No. 57) | orthorhombic | 3.05 | 0.0000 | -7.419 | 2.93 |
| Pbcm (No. 57) | orthorhombic | 2.87 | 0.0000 | -2.508 | — |
| — | — | 2.42 | 0.0373 | -2.333 | — |
| — | — | 2.14 | 0.0942 | -2.276 | — |
| — | — | 2.79 | 0.0947 | -2.275 | — |
| — | — | 0.28 | 0.0989 | -2.271 | — |
| Pm-3m (No. 221) | cubic | 0.08 | 0.1783 | -2.330 | — |
| Pm-3m (No. 221) | cubic | 0.22 | 0.2169 | -7.202 | 4.01 |
| — | — | 0.42 | 0.2172 | -2.153 | — |
| — | — | 0.29 | 0.2182 | -2.152 | — |
| — | — | 0.29 | 0.2183 | -2.151 | — |
Applications
Where potassium metavanadate is used.
Frequently Asked Questions
Common questions about potassium metavanadate, answered from cross-validated data.
What is KVO3?
Potassium metavanadate is a stable, insulating inorganic compound characterized by its structural diversity and importance in vanadium oxide research.
What is KVO3 used for?
What is the band gap of KVO3?
Is KVO3 a metal, semiconductor, or insulator?
Is KVO3 thermodynamically stable?
What is the crystal structure of KVO3?
What is the density of KVO3?
How many polymorphs of KVO3 are known?
What elements does KVO3 contain?
Where does the data for KVO3 come from?
How It Compares
As a stable member of the vanadate family, this compound represents a well-defined crystalline phase that occupies a favorable position on the thermodynamic convex hull, serving as a reliable benchmark for studying the structural evolution of alkali metal vanadates.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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