Na2Ta4O11
Na2Ta4O11 is a stable, insulating oxide material used in the study of advanced dielectric and ceramic systems.
About Na2Ta4O11
Na2Ta4O11 is a complex oxide characterized by its wide-gap insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within the broader family of oxide materials.
This compound is primarily investigated for its dielectric properties and structural stability. Its chemical composition makes it a subject of interest for researchers exploring high-performance ceramic materials and potential electronic components that require stable, insulating oxide frameworks.
Key Properties
Cross-validated computational properties for Na2Ta4O11, 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 Na2Ta4O11. 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 Na2Ta4O11, 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. |
|---|---|---|---|---|---|
| — | — | 3.68 | 0.0000 | -3.028 | — |
| R-3c (No. 167) | trigonal | 3.52 | 0.0000 | -2.951 | — |
| R-3c (No. 167) | trigonal | 3.46 | 0.0000 | -9.336 | 7.67 |
| R-3c (No. 167) | trigonal | — | — | — | 7.75 |
| R-3c (No. 167) | trigonal | — | — | — | 7.71 |
| R-3c (No. 167) | trigonal | — | — | — | 7.71 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na2Ta4O11.
Applications
Where Na2Ta4O11 is used.
Frequently Asked Questions
Common questions about Na2Ta4O11, answered from cross-validated data.
What is Na2Ta4O11?
Na2Ta4O11 is a stable, insulating oxide material used in the study of advanced dielectric and ceramic systems.
What is Na2Ta4O11 used for?
What is the band gap of Na2Ta4O11?
Is Na2Ta4O11 a metal, semiconductor, or insulator?
Is Na2Ta4O11 thermodynamically stable?
What is the crystal structure of Na2Ta4O11?
How many polymorphs of Na2Ta4O11 are known?
How is Na2Ta4O11 synthesized?
What elements does Na2Ta4O11 contain?
Where does the data for Na2Ta4O11 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly conductive or magnetic perovskite-related oxides such as LaNiO3 or LaMnO3, Na2Ta4O11 is distinguished by its insulating character. While many members of this class, like BaTiO3 or BiFeO3, are widely utilized for their ferroelectric or multiferroic properties, Na2Ta4O11 offers a different structural profile that emphasizes thermodynamic stability and electronic passivity.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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