NaNbO3
Sodium niobate · NaNbO3
Sodium niobate is a stable, insulating perovskite oxide used extensively in materials research for its versatile structural and dielectric properties.
About Sodium niobate
Sodium niobate is a thermodynamically stable perovskite oxide that functions as a wide-gap insulator. Its structural complexity is highlighted by the extensive number of reported crystalline phases, making it a significant subject of study in solid-state chemistry and materials science.
Because of its robust stability and distinct electronic character, this compound serves as a foundational material for investigating dielectric and ferroelectric phenomena. It is widely utilized in research aimed at developing high-performance electronic components and sensors.
Key Properties
Cross-validated computational properties for Sodium niobate, aggregated across 5 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 NaNbO3. 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 NaNbO3, 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. |
|---|---|---|---|---|---|
| — | — | 4.01 | 0.0000 | -2.706 | — |
| R3c (No. 161) | trigonal | 2.78 | 0.0000 | -8.102 | 4.47 |
| Pnma (No. 62) | orthorhombic | 2.05 | 0.0000 | -2.627 | — |
| Pbcm (No. 57) | orthorhombic | 2.36 | 0.0017 | -8.100 | 4.52 |
| Pca21 (No. 29) | orthorhombic | 2.41 | 0.0018 | -8.100 | 4.51 |
| Pmc21 (No. 26) | orthorhombic | 2.37 | 0.0024 | -8.100 | 4.51 |
| Pna21 (No. 33) | orthorhombic | 2.85 | 0.0029 | -8.099 | 4.53 |
| R-3 (No. 148) | trigonal | 3.84 | 0.0031 | -8.099 | 4.21 |
| Pmn21 (No. 31) | orthorhombic | 2.23 | 0.0036 | -8.099 | 4.53 |
| R3c (No. 161) | trigonal | 2.75 | 0.0070 | -2.620 | — |
| Pbcm (No. 57) | orthorhombic | 2.38 | 0.0072 | -2.620 | — |
| Pmc21 (No. 26) | orthorhombic | 2.34 | 0.0077 | -2.620 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting NaNbO3.
Applications
Where Sodium niobate is used.
Frequently Asked Questions
Common questions about Sodium niobate, answered from cross-validated data.
What is NaNbO3?
Sodium niobate is a stable, insulating perovskite oxide used extensively in materials research for its versatile structural and dielectric properties.
What is NaNbO3 used for?
What is the band gap of NaNbO3?
Is NaNbO3 a metal, semiconductor, or insulator?
Is NaNbO3 thermodynamically stable?
What is the crystal structure of NaNbO3?
What is the density of NaNbO3?
How many polymorphs of NaNbO3 are known?
How is NaNbO3 synthesized?
What elements does NaNbO3 contain?
Where does the data for NaNbO3 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse family of perovskite oxides, sodium niobate occupies a unique position compared to transition-metal-rich siblings like LaNiO3 or LaMnO3. While many members of this class exhibit complex magnetic or metallic behaviors, sodium niobate is distinguished by its insulating nature, aligning it more closely with the dielectric utility found in materials like BaTiO3 or LaAlO3.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
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