Ba3La2Ti2Nb2O15
Ba3La2Ti2Nb2O15 is a complex, semiconducting, lead-free oxide material currently investigated for its potential in piezoelectric and dielectric applications.
About Ba3La2Ti2Nb2O15
Ba3La2Ti2Nb2O15 is a complex oxide belonging to the lead-free piezoelectric class of materials. Characterized by its semiconducting electronic nature, this compound represents a sophisticated structural arrangement of barium, lanthanum, titanium, niobium, and oxygen atoms designed to explore non-toxic alternatives for electromechanical devices.
As a metastable phase, it is a subject of significant interest in materials science, particularly for researchers seeking to tune dielectric and piezoelectric responses. Its unique composition allows it to function within specialized electronic environments where traditional lead-based ceramics are increasingly being phased out due to environmental regulations.
Key Properties
Cross-validated computational properties for Ba3La2Ti2Nb2O15, 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 Ba3La2Ti2Nb2O15. 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 Ba3La2Ti2Nb2O15, 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 | 2.42 | 0.0256 | -3.311 | — |
| — | — | 2.52 | 0.0474 | -3.275 | — |
| P-3m1 (No. 164) | trigonal | 2.39 | 0.0498 | -8.704 | 6.03 |
| P-3m1 (No. 164) | trigonal | — | — | — | 6.03 |
| P-3m1 (No. 164) | trigonal | — | — | — | 6.34 |
| P-3m1 (No. 164) | trigonal | — | — | — | 6.15 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ba3La2Ti2Nb2O15.
Applications
Where Ba3La2Ti2Nb2O15 is used.
Frequently Asked Questions
Common questions about Ba3La2Ti2Nb2O15, answered from cross-validated data.
What is Ba3La2Ti2Nb2O15?
Ba3La2Ti2Nb2O15 is a complex, semiconducting, lead-free oxide material currently investigated for its potential in piezoelectric and dielectric applications.
What is Ba3La2Ti2Nb2O15 used for?
What is the band gap of Ba3La2Ti2Nb2O15?
Is Ba3La2Ti2Nb2O15 a metal, semiconductor, or insulator?
Is Ba3La2Ti2Nb2O15 thermodynamically stable?
What is the crystal structure of Ba3La2Ti2Nb2O15?
How many polymorphs of Ba3La2Ti2Nb2O15 are known?
How is Ba3La2Ti2Nb2O15 synthesized?
What elements does Ba3La2Ti2Nb2O15 contain?
Where does the data for Ba3La2Ti2Nb2O15 come from?
How It Compares
Within the lead-free piezoelectrics class.
Within the diverse landscape of lead-free piezoelectrics, Ba3La2Ti2Nb2O15 offers a more complex structural architecture compared to simpler perovskites like BaTiO3 or KTaO3. While those classic materials are widely utilized for their robust ferroelectric properties, this compound's metastable nature and distinct elemental combination provide a different pathway for optimizing electronic performance in emerging technological applications.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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