Na5SbO5
Na5SbO5 is a semiconducting sodium antimonate compound that is considered a likely candidate for laboratory synthesis.
About Na5SbO5
Na5SbO5 is a semiconducting ternary oxide containing sodium, antimony, and oxygen. Its electronic structure and composition place it as an intriguing subject for solid-state research, particularly in the exploration of complex antimonates that exhibit stable structural configurations.
Because it sits near the thermodynamic hull, the compound is considered a viable target for experimental synthesis. Its availability across multiple structural databases underscores its significance as a well-documented candidate for materials discovery and potential functional applications in electronic or ionic systems.
Key Properties
Cross-validated computational properties for Na5SbO5, 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 Na5SbO5. 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 Na5SbO5, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 1.65 | 0.0010 | -5.076 | 3.71 |
| C2/m (No. 12) | monoclinic | 1.63 | 0.0013 | -5.075 | 3.72 |
| — | — | 1.99 | 0.0035 | -1.777 | — |
| C2 (No. 5) | monoclinic | 1.83 | 0.0103 | -1.706 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.51 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.66 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.72 |
Applications
Where Na5SbO5 is used.
Frequently Asked Questions
Common questions about Na5SbO5, answered from cross-validated data.
What is Na5SbO5?
Na5SbO5 is a semiconducting sodium antimonate compound that is considered a likely candidate for laboratory synthesis.
What is Na5SbO5 used for?
What is the band gap of Na5SbO5?
Is Na5SbO5 a metal, semiconductor, or insulator?
Is Na5SbO5 thermodynamically stable?
What is the crystal structure of Na5SbO5?
What is the density of Na5SbO5?
How many polymorphs of Na5SbO5 are known?
What elements does Na5SbO5 contain?
Where does the data for Na5SbO5 come from?
How It Compares
As an unclassified ternary oxide, Na5SbO5 occupies a unique position in solid-state chemistry. Without direct structural siblings in this specific class, it serves as a distinct reference point for understanding the stability and electronic behavior of alkali-metal antimonates.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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