Ba2InO6Ta
Ba2InO6Ta is a stable, lead-free complex oxide material used in the development of environmentally friendly piezoelectric and dielectric components.
About Ba2InO6Ta
Ba2InO6Ta is a complex oxide belonging to the class of lead-free piezoelectrics. As a wide-band-gap insulator, it exhibits the electronic characteristics necessary for high-performance dielectric applications where avoiding toxic lead components is a primary design objective. Its status as a thermodynamically stable phase on the convex hull suggests favorable synthesis conditions and structural robustness for long-term integration into electronic devices. This stability makes it a compelling subject for researchers investigating alternatives to traditional perovskite-based ferroelectrics. By leveraging its unique structural composition, this material serves as a platform for exploring piezoelectric responses in heavy-metal-free oxide systems.
Key Properties
Cross-validated computational properties for Ba2InO6Ta, aggregated across 2 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 Ba2InO6Ta. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for Ba2InO6Ta, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for Ba2InO6Ta, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 3.95 | 0.0000 | -7.890 | 7.47 |
| Fm-3m (No. 225) | cubic | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ba2InO6Ta.
Applications
Where Ba2InO6Ta is used.
Frequently Asked Questions
Common questions about Ba2InO6Ta, answered from cross-validated data.
What is Ba2InO6Ta?
Ba2InO6Ta is a stable, lead-free complex oxide material used in the development of environmentally friendly piezoelectric and dielectric components.
What is Ba2InO6Ta used for?
What is the band gap of Ba2InO6Ta?
Is Ba2InO6Ta a metal, semiconductor, or insulator?
Is Ba2InO6Ta thermodynamically stable?
What is the crystal structure of Ba2InO6Ta?
What is the density of Ba2InO6Ta?
How many polymorphs of Ba2InO6Ta are known?
How is Ba2InO6Ta synthesized?
What elements does Ba2InO6Ta contain?
Where does the data for Ba2InO6Ta come from?
How It Compares
Within the lead-free piezoelectrics class.
Within the diverse landscape of lead-free piezoelectrics, Ba2InO6Ta offers a distinct structural alternative to the widely utilized BaTiO3. While BaTiO3 remains the industry standard for its high electromechanical coupling, Ba2InO6Ta provides a different chemical framework that avoids the limitations of simple titanates, positioning it alongside more exotic complex oxides like KTaO3 in the search for specialized dielectric properties.
Related Compounds
Other Lead-Free Piezoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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