KVO2
KVO2 is a metastable, semiconducting ternary oxide containing potassium, vanadium, and oxygen.
About KVO2
KVO2 is a ternary oxide compound composed of potassium, vanadium, and oxygen. As a semiconducting material, it represents a specialized area of study within inorganic chemistry, characterized by its metastable nature that invites further investigation into its structural evolution.
Its existence across multiple reported structures highlights its complexity and the interest researchers have in its phase behavior. Understanding this compound is vital for exploring how alkali-metal vanadates can be tuned for specific electronic applications in future technological frameworks.
Key Properties
Cross-validated computational properties for KVO2, 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.
Reported Structures
Lowest-energy structures reported for KVO2, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 1.67 | 0.0603 | -7.190 | 3.86 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.07 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.60 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P-3m1 (No. 164) | Trigonal | — | — | — | 3.86 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 4.04 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 4.17 |
Applications
Where KVO2 is used.
Frequently Asked Questions
Common questions about KVO2, answered from cross-validated data.
What is KVO2?
KVO2 is a metastable, semiconducting ternary oxide containing potassium, vanadium, and oxygen.
What is KVO2 used for?
What is the band gap of KVO2?
Is KVO2 a metal, semiconductor, or insulator?
Is KVO2 thermodynamically stable?
What is the crystal structure of KVO2?
What is the density of KVO2?
How many polymorphs of KVO2 are known?
What elements does KVO2 contain?
Where does the data for KVO2 come from?
How It Compares
As a metastable semiconducting oxide, KVO2 occupies a unique niche in materials science where its phase stability is a primary focus of investigation. Unlike more common, highly stable binary oxides, this compound serves as a critical case study for understanding the synthesis and structural diversity of complex potassium-vanadium systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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