Ba4LaTiNb3O15
Ba4LaTiNb3O15 is a metastable, semiconducting complex oxide used in the research and development of lead-free piezoelectric materials.
About Ba4LaTiNb3O15
Ba4LaTiNb3O15 is a complex oxide belonging to the lead-free piezoelectric class. As a semiconducting material, it offers unique electronic characteristics that distinguish it from traditional insulating ferroelectrics, making it a subject of interest for specialized functional applications.
Although it is classified as metastable, the material has been documented across multiple structural databases, indicating significant research interest in its synthesis and phase behavior. Its composition, incorporating barium, lanthanum, titanium, and niobium, allows for complex structural arrangements that are vital for developing environmentally friendly electromechanical components.
Key Properties
Cross-validated computational properties for Ba4LaTiNb3O15, 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 Ba4LaTiNb3O15, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 2.47 | 0.0275 | -8.573 | 6.01 |
| P3m1 (No. 156) | trigonal | 2.59 | 0.0503 | -8.550 | 6.08 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.08 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.40 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.21 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.01 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.34 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.14 |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
Applications
Where Ba4LaTiNb3O15 is used.
Frequently Asked Questions
Common questions about Ba4LaTiNb3O15, answered from cross-validated data.
What is Ba4LaTiNb3O15?
Ba4LaTiNb3O15 is a metastable, semiconducting complex oxide used in the research and development of lead-free piezoelectric materials.
What is Ba4LaTiNb3O15 used for?
What is the band gap of Ba4LaTiNb3O15?
Is Ba4LaTiNb3O15 a metal, semiconductor, or insulator?
Is Ba4LaTiNb3O15 thermodynamically stable?
What is the crystal structure of Ba4LaTiNb3O15?
What is the density of Ba4LaTiNb3O15?
How many polymorphs of Ba4LaTiNb3O15 are known?
What elements does Ba4LaTiNb3O15 contain?
Where does the data for Ba4LaTiNb3O15 come from?
How It Compares
Within the lead-free piezoelectrics class.
Within the broader family of lead-free piezoelectrics, Ba4LaTiNb3O15 occupies a distinct niche compared to highly stable, well-characterized compounds like BaTiO3 or KTaO3. While BaTiO3 remains the industry standard for piezoelectric performance, this complex quaternary oxide represents a more specialized, metastable alternative that researchers investigate to expand the chemical space of lead-free materials beyond simple perovskites.
Related Compounds
Other Lead-Free Piezoelectrics in the database.
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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