NaTaO3
Sodium tantalate · NaTaO3
Sodium tantalate is a stable, insulating perovskite oxide widely used in research for its exceptional photocatalytic properties.
About Sodium tantalate
Sodium tantalate is a thermodynamically stable perovskite oxide that functions as a wide-gap insulator. Its structural integrity and electronic properties make it a foundational material in the study of oxide perovskites, where it is frequently explored for its potential in energy conversion technologies.
Due to its robust nature, this compound serves as a critical model system for researchers investigating photocatalysis and dielectric behavior. It is highly valued for its ability to facilitate chemical reactions under light exposure, positioning it as a key material in environmental and energy-related research.
Key Properties
Cross-validated computational properties for Sodium tantalate, 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 NaTaO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.62 | 0.0000 | -8.673 | 7.15 |
| Cmcm (No. 63) | orthorhombic | 2.39 | 0.0033 | -8.670 | 7.10 |
| P4/mbm (No. 127) | tetragonal | 2.28 | 0.0093 | -8.664 | 7.04 |
| Pm-3m (No. 221) | cubic | 2.26 | 0.0278 | -8.646 | 6.80 |
| Fd-3m (No. 227) | cubic | 2.71 | 0.0868 | -8.587 | 5.79 |
| P1 (No. 1) | triclinic | 3.41 | 0.0956 | -8.578 | 5.74 |
| P1 (No. 1) | triclinic | 0.00 | 3.1877 | -5.486 | 5.75 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.92 |
| Cmcm (No. 63) | — | — | — | — | — |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.79 |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.80 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.05 |
Synthesis Routes
Literature-extracted synthesis procedures targeting NaTaO3.
Applications
Where Sodium tantalate is used.
Frequently Asked Questions
Common questions about Sodium tantalate, answered from cross-validated data.
What is NaTaO3?
Sodium tantalate is a stable, insulating perovskite oxide widely used in research for its exceptional photocatalytic properties.
What is NaTaO3 used for?
What is the band gap of NaTaO3?
Is NaTaO3 a metal, semiconductor, or insulator?
Is NaTaO3 thermodynamically stable?
What is the crystal structure of NaTaO3?
What is the density of NaTaO3?
How many polymorphs of NaTaO3 are known?
How is NaTaO3 synthesized?
What elements does NaTaO3 contain?
Where does the data for NaTaO3 come from?
How It Compares
Within the perovskite oxides class.
Unlike the metallic or magnetic behavior often observed in transition-metal perovskites such as LaNiO3 or LaMnO3, sodium tantalate is characterized by its stable, insulating electronic structure. While materials like BaTiO3 are primarily utilized for their ferroelectric properties, sodium tantalate is distinguished by its superior performance in photocatalytic applications, setting it apart from the more complex magnetic oxides in the class.
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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