Ba2LaNbO6
Ba2LaNbO6 is a thermodynamically stable, lead-free oxide ceramic used as an insulating material in the development of sustainable piezoelectric technologies.
About Ba2LaNbO6
Ba2LaNbO6 is a complex perovskite-structured oxide that serves as a robust, lead-free alternative in the field of piezoelectric materials. As a wide-band-gap insulator, it exhibits excellent electronic stability, making it a reliable candidate for high-performance dielectric applications. Its position on the thermodynamic convex hull highlights its structural integrity and potential for long-term operational reliability in demanding environments.
This compound is primarily investigated for its role in sustainable electronics where the elimination of toxic lead is a critical design requirement. By leveraging its unique structural properties, researchers aim to develop advanced sensors and actuators that maintain performance without the environmental drawbacks associated with traditional lead-based ceramics.
Key Properties
Cross-validated computational properties for Ba2LaNbO6, aggregated across 4 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 Ba2LaNbO6. 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 Ba2LaNbO6, 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. |
|---|---|---|---|---|---|
| — | — | 3.20 | 0.0000 | -3.225 | — |
| C2/m (No. 12) | monoclinic | 3.12 | 0.0000 | -3.227 | — |
| C2/m (No. 12) | monoclinic | 3.06 | 0.0000 | -8.244 | 6.01 |
| — | — | 3.20 | 0.0007 | -3.224 | — |
| — | — | 3.19 | 0.0008 | -3.224 | — |
| — | — | 3.32 | 0.0026 | -3.222 | — |
| — | — | 3.19 | 0.0049 | -3.220 | — |
| Pn-3 (No. 201) | cubic | 2.97 | 0.0135 | -8.231 | 5.95 |
| Fm-3m (No. 225) | cubic | 2.96 | 0.0235 | -8.221 | 5.91 |
| — | — | 3.15 | 0.0266 | -3.198 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 6.21 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.41 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ba2LaNbO6.
Applications
Where Ba2LaNbO6 is used.
Frequently Asked Questions
Common questions about Ba2LaNbO6, answered from cross-validated data.
What is Ba2LaNbO6?
Ba2LaNbO6 is a thermodynamically stable, lead-free oxide ceramic used as an insulating material in the development of sustainable piezoelectric technologies.
What is Ba2LaNbO6 used for?
What is the band gap of Ba2LaNbO6?
Is Ba2LaNbO6 a metal, semiconductor, or insulator?
Is Ba2LaNbO6 thermodynamically stable?
What is the crystal structure of Ba2LaNbO6?
How many polymorphs of Ba2LaNbO6 are known?
How is Ba2LaNbO6 synthesized?
What elements does Ba2LaNbO6 contain?
Where does the data for Ba2LaNbO6 come from?
How It Compares
Within the lead-free piezoelectrics class.
Within the diverse landscape of lead-free piezoelectrics, Ba2LaNbO6 distinguishes itself through its high thermodynamic stability compared to more volatile or moisture-sensitive perovskites like KNbO3. While BaTiO3 remains the industry standard for its well-understood ferroelectric properties, Ba2LaNbO6 offers a distinct structural framework that provides researchers with a more stable, albeit less explored, alternative for specialized electronic components.
Related Compounds
Other Lead-Free Piezoelectrics 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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