K2V3O8
K2V3O8 is a thermodynamically stable semiconducting oxide used in materials research.
About K2V3O8
K2V3O8 is a stable inorganic compound that exhibits semiconducting electronic behavior. As a member of the potassium vanadium oxide family, it maintains structural integrity on the convex hull, making it a reliable candidate for materials science investigations. Its distinct electronic profile allows for specialized interactions in solid-state systems where controlled charge transport is required. The compound is characterized by a well-defined structural framework that has been documented across multiple experimental databases, highlighting its significance in the study of complex transition metal oxides. Researchers value this material for its predictable stability and its role in expanding the understanding of vanadium-based electronic systems.
Key Properties
Cross-validated computational properties for K2V3O8, 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 K2V3O8. 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 K2V3O8, 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. |
|---|---|---|---|---|---|
| — | — | 2.06 | 0.0000 | -2.419 | — |
| P4bm (No. 100) | tetragonal | 2.05 | 0.0000 | -7.761 | 2.88 |
| P4bm (No. 100) | tetragonal | 0.64 | 0.0000 | -2.535 | — |
| — | — | 1.78 | 0.0405 | -2.378 | — |
| P4bm (No. 100) | tetragonal | — | — | — | 2.91 |
| P4bm (No. 100) | tetragonal | — | — | — | 2.90 |
| P4bm (No. 100) | tetragonal | — | — | — | 2.66 |
| P4bm (No. 100) | tetragonal | — | — | — | 2.73 |
Applications
Where K2V3O8 is used.
Frequently Asked Questions
Common questions about K2V3O8, answered from cross-validated data.
What is K2V3O8?
K2V3O8 is a thermodynamically stable semiconducting oxide used in materials research.
What is K2V3O8 used for?
What is the band gap of K2V3O8?
Is K2V3O8 a metal, semiconductor, or insulator?
Is K2V3O8 thermodynamically stable?
What is the crystal structure of K2V3O8?
What is the density of K2V3O8?
How many polymorphs of K2V3O8 are known?
What elements does K2V3O8 contain?
Where does the data for K2V3O8 come from?
How It Compares
As a stable oxide, K2V3O8 serves as a foundational reference point within its class of potassium vanadium compounds, providing a benchmark for structural and electronic stability in similar multi-component systems.
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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