KNaNb2O6
KNaNb2O6 is a semiconducting, lead-free complex oxide being investigated as a sustainable alternative for piezoelectric and electromechanical technologies.
About KNaNb2O6
KNaNb2O6 is a complex oxide belonging to the lead-free piezoelectric family. As a semiconducting material that resides near the thermodynamic hull, it represents a promising candidate for synthesis and experimental characterization in advanced materials research.
Its significance lies in the ongoing effort to replace traditional lead-based ceramics with environmentally benign alternatives. By leveraging the unique coordination chemistry of potassium, sodium, and niobium, this compound contributes to the diversity of perovskite-related structures used in electromechanical sensing and actuation.
Key Properties
Cross-validated computational properties for KNaNb2O6, 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 KNaNb2O6. 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 KNaNb2O6, 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. |
|---|---|---|---|---|---|
| Pm (No. 6) | monoclinic | 1.84 | 0.0085 | -2.645 | — |
| Pm (No. 6) | monoclinic | 1.98 | 0.0176 | -8.067 | 4.28 |
| Cm (No. 8) | monoclinic | 1.94 | 0.0217 | -8.063 | 4.28 |
| Cm (No. 8) | monoclinic | — | — | — | 4.26 |
Synthesis Routes
Literature-extracted synthesis procedures targeting KNaNb2O6.
Applications
Where KNaNb2O6 is used.
Frequently Asked Questions
Common questions about KNaNb2O6, answered from cross-validated data.
What is KNaNb2O6?
KNaNb2O6 is a semiconducting, lead-free complex oxide being investigated as a sustainable alternative for piezoelectric and electromechanical technologies.
What is KNaNb2O6 used for?
What is the band gap of KNaNb2O6?
Is KNaNb2O6 a metal, semiconductor, or insulator?
Is KNaNb2O6 thermodynamically stable?
What is the crystal structure of KNaNb2O6?
How many polymorphs of KNaNb2O6 are known?
How is KNaNb2O6 synthesized?
What elements does KNaNb2O6 contain?
Where does the data for KNaNb2O6 come from?
How It Compares
Within the lead-free piezoelectrics class.
Within the broad landscape of lead-free piezoelectrics, KNaNb2O6 occupies a distinct niche compared to well-established benchmarks like KNbO3 or NaNbO3. While those binary-cation precursors are foundational to the field, KNaNb2O6 offers a mixed-alkali framework that potentially tunes the electromechanical response and structural stability, positioning it as a specialized alternative to more common titanates or tantalates like BaTiO3 and NaTaO3.
Related Compounds
Other Lead-Free Piezoelectrics in the database.
Data sources & attribution
- 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)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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