La3TaO7
La3TaO7 is a stable, insulating perovskite oxide used in the development of advanced electronic and dielectric materials.
About La3TaO7
La3TaO7 is a robust perovskite oxide characterized by its wide-gap insulating electronic profile. As a thermodynamically stable phase, it maintains structural integrity under various conditions, which is essential for its reliability in high-performance material applications.
This compound is frequently studied for its potential in dielectric and electronic components. Its stability on the convex hull highlights its significance as a reliable building block in oxide-based electronics and functional ceramic development.
Key Properties
Cross-validated computational properties for La3TaO7, 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 La3TaO7. 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 La3TaO7, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 3.55 | 0.0000 | -3.630 | — |
| — | — | 3.52 | 0.0000 | -3.653 | — |
| Cmcm (No. 63) | orthorhombic | 3.46 | 0.0000 | -9.399 | 7.15 |
| Cmmm (No. 65) | orthorhombic | 3.55 | 0.0005 | -3.629 | — |
| — | — | 3.65 | 0.0151 | -3.638 | — |
| Cmmm (No. 65) | orthorhombic | 3.54 | 0.0242 | -9.375 | 6.99 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 7.04 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 7.14 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 6.86 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 6.97 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 7.14 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 7.31 |
Synthesis Routes
Literature-extracted synthesis procedures targeting La3TaO7.
Applications
Where La3TaO7 is used.
Frequently Asked Questions
Common questions about La3TaO7, answered from cross-validated data.
What is La3TaO7?
La3TaO7 is a stable, insulating perovskite oxide used in the development of advanced electronic and dielectric materials.
What is La3TaO7 used for?
What is the band gap of La3TaO7?
Is La3TaO7 a metal, semiconductor, or insulator?
Is La3TaO7 thermodynamically stable?
What is the crystal structure of La3TaO7?
What is the density of La3TaO7?
How many polymorphs of La3TaO7 are known?
How is La3TaO7 synthesized?
What elements does La3TaO7 contain?
Where does the data for La3TaO7 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly conductive or magnetic members of the perovskite family such as LaNiO3 or LaMnO3, La3TaO7 is distinguished by its insulating nature. While many perovskites in this group are explored for their catalytic or magnetic properties, this compound is primarily valued for its dielectric stability, setting it apart from the more active metallic or multiferroic siblings like BiFeO3.
Related Compounds
Other Perovskite Oxides 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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