NaSbO3
NaSbO3 is a thermodynamically stable semiconducting oxide characterized by diverse structural forms.
About NaSbO3
NaSbO3 is a thermodynamically stable oxide that resides on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers a unique electronic profile that makes it a subject of interest for researchers investigating complex inorganic frameworks.
With numerous reported structures across various databases, this compound demonstrates a high degree of structural flexibility. Its ability to adopt multiple configurations underscores its importance in the study of sodium-antimony-oxygen systems and their potential for functional applications.
Key Properties
Cross-validated computational properties for NaSbO3, 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 NaSbO3. 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 NaSbO3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 2.76 | 0.0000 | -1.754 | — |
| R-3 (No. 148) | trigonal | 2.70 | 0.0000 | -6.120 | 4.97 |
| — | — | 2.99 | 0.0045 | -1.918 | — |
| Pnna (No. 52) | orthorhombic | 1.84 | 0.0359 | -1.718 | — |
| Pnna (No. 52) | orthorhombic | 1.70 | 0.0368 | -6.083 | 5.22 |
| Fd-3m (No. 227) | cubic | 1.47 | 0.0551 | -6.065 | 4.57 |
| Pnma (No. 62) | orthorhombic | 1.45 | 0.0575 | -1.696 | — |
| Fd-3m (No. 227) | cubic | 1.61 | 0.0605 | -1.693 | — |
| P-1 (No. 2) | triclinic | 1.93 | 0.0657 | -6.054 | 4.50 |
| Pnma (No. 62) | orthorhombic | 1.28 | 0.0919 | -6.028 | 5.42 |
| — | — | 1.65 | 0.0936 | -1.829 | — |
| — | — | 1.41 | 0.1001 | -1.822 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting NaSbO3.
Applications
Where NaSbO3 is used.
Frequently Asked Questions
Common questions about NaSbO3, answered from cross-validated data.
What is NaSbO3?
NaSbO3 is a thermodynamically stable semiconducting oxide characterized by diverse structural forms.
What is NaSbO3 used for?
What is the band gap of NaSbO3?
Is NaSbO3 a metal, semiconductor, or insulator?
Is NaSbO3 thermodynamically stable?
What is the crystal structure of NaSbO3?
How many polymorphs of NaSbO3 are known?
How is NaSbO3 synthesized?
What elements does NaSbO3 contain?
Where does the data for NaSbO3 come from?
How It Compares
As a distinct inorganic compound, NaSbO3 serves as a foundational example of stable ternary oxides within its chemical family, providing a benchmark for structural complexity and electronic behavior in the absence of other closely related siblings in this specific dataset.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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