Na3SbO4
Na3SbO4 is a thermodynamically stable semiconducting ternary oxide that serves as a foundational material for exploring sodium-based chemical systems.
About Na3SbO4
Na3SbO4 is a complex oxide composed of sodium, antimony, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within the chemical space of ternary sodium antimonates. Its structural integrity is supported by multiple reported crystallographic forms, making it a reliable subject for fundamental materials characterization.
Exhibiting semiconducting electronic character, this compound serves as a point of interest for researchers investigating ion-conducting materials or functional oxides. Its stability suggests potential for applications where long-term phase persistence is required, providing a stable platform for exploring the interplay between its anionic framework and alkali metal mobility.
Key Properties
Cross-validated computational properties for Na3SbO4, 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 Na3SbO4. 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 Na3SbO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.39 | 0.0000 | -1.913 | — |
| P2/c (No. 13) | monoclinic | 2.29 | 0.0000 | -1.823 | — |
| P2/c (No. 13) | monoclinic | 2.14 | 0.0000 | -5.492 | 4.40 |
| P2/c (No. 13) | monoclinic | — | — | — | 4.33 |
| P2/c (No. 13) | monoclinic | — | — | — | 4.15 |
| P2/c (No. 13) | monoclinic | — | — | — | 4.31 |
| P2/c (No. 13) | monoclinic | — | — | — | 4.42 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na3SbO4.
Applications
Where Na3SbO4 is used.
Frequently Asked Questions
Common questions about Na3SbO4, answered from cross-validated data.
What is Na3SbO4?
Na3SbO4 is a thermodynamically stable semiconducting ternary oxide that serves as a foundational material for exploring sodium-based chemical systems.
What is Na3SbO4 used for?
What is the band gap of Na3SbO4?
Is Na3SbO4 a metal, semiconductor, or insulator?
Is Na3SbO4 thermodynamically stable?
What is the crystal structure of Na3SbO4?
How many polymorphs of Na3SbO4 are known?
How is Na3SbO4 synthesized?
What elements does Na3SbO4 contain?
Where does the data for Na3SbO4 come from?
How It Compares
As a distinct ternary oxide, Na3SbO4 functions as a baseline material for understanding the structural and electronic trends within the broader family of sodium-antimony-oxygen systems, offering a stable reference point for future synthetic and computational studies.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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