Ba4Ta2O9
Ba4Ta2O9 is a thermodynamically stable, wide-band-gap insulating oxide belonging to the perovskite class of materials.
About Ba4Ta2O9
Ba4Ta2O9 is a complex perovskite oxide that exhibits robust thermodynamic stability, positioning it as a reliable candidate for high-performance ceramic applications. Its electronic character as a wide-band-gap insulator makes it particularly valuable for components requiring high dielectric strength and electrical isolation.
This compound is part of a structurally rich family of oxides, supported by extensive data across multiple databases. Its stable nature ensures consistent performance in demanding environments, where its insulating behavior is leveraged to manage electronic and thermal properties in specialized oxide-based devices.
Key Properties
Cross-validated computational properties for Ba4Ta2O9, 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 Ba4Ta2O9, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.96 | 0.0000 | -8.422 | 6.36 |
| P63/m (No. 176) | hexagonal | 3.88 | 0.0003 | -8.422 | 6.49 |
| P21/c (No. 14) | monoclinic | 3.46 | 0.0415 | -8.381 | 6.94 |
| P-3c1 (No. 165) | trigonal | 3.60 | 0.0807 | -8.342 | 6.47 |
| P-3c1 (No. 165) | Trigonal | — | — | — | 6.47 |
| P63/m (No. 176) | Hexagonal | — | — | — | 6.36 |
| P-3c1 (No. 165) | Trigonal | — | — | — | 6.92 |
| P63/m (No. 176) | Hexagonal | — | — | — | 6.73 |
| P63/m (No. 176) | Hexagonal | — | — | — | 6.50 |
| P-3c1 (No. 165) | Trigonal | — | — | — | 6.64 |
| P63/m (No. 176) | — | — | — | — | — |
Applications
Where Ba4Ta2O9 is used.
Frequently Asked Questions
Common questions about Ba4Ta2O9, answered from cross-validated data.
What is Ba4Ta2O9?
Ba4Ta2O9 is a thermodynamically stable, wide-band-gap insulating oxide belonging to the perovskite class of materials.
What is Ba4Ta2O9 used for?
What is the band gap of Ba4Ta2O9?
Is Ba4Ta2O9 a metal, semiconductor, or insulator?
Is Ba4Ta2O9 thermodynamically stable?
What is the crystal structure of Ba4Ta2O9?
What is the density of Ba4Ta2O9?
How many polymorphs of Ba4Ta2O9 are known?
What elements does Ba4Ta2O9 contain?
Where does the data for Ba4Ta2O9 come from?
How It Compares
Within the perovskite oxides class.
Unlike the metallic or semi-conducting members of the perovskite family such as LaNiO3, Ba4Ta2O9 is characterized by its distinct insulating nature. While materials like BaTiO3 are widely utilized for their ferroelectric properties, Ba4Ta2O9 serves as a stable, wide-gap alternative that prioritizes structural integrity and electrical resistance over the functional switching behaviors seen in its more complex counterparts.
Related Compounds
Other Perovskite Oxides 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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