NaSbO2
NaSbO2 is a stable, insulating inorganic compound characterized by a wide electronic band gap and diverse structural arrangements.
About NaSbO2
NaSbO2 is a thermodynamically stable inorganic compound that resides on the convex hull, indicating a high degree of structural robustness. As a wide-band-gap insulator, it exhibits electronic properties characteristic of materials that resist electrical conduction under standard conditions.
Its significance lies in its structural diversity, with multiple reported configurations across major materials databases. This makes it a valuable subject for researchers investigating the fundamental behavior of sodium-antimony-oxygen systems in solid-state chemistry.
Key Properties
Cross-validated computational properties for NaSbO2, 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 NaSbO2. 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 NaSbO2, 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/c (No. 15) | monoclinic | 1.41 | 0.0000 | -1.646 | — |
| — | — | 1.38 | 0.0000 | -1.749 | — |
| C2/c (No. 15) | monoclinic | 1.47 | 0.0007 | -5.693 | 4.82 |
| Pbca (No. 61) | orthorhombic | 2.77 | 0.0036 | -5.691 | 3.79 |
| Pbca (No. 61) | orthorhombic | 3.75 | 0.0114 | -11.962 | 4.04 |
| — | — | 0.00 | 0.0654 | -1.684 | — |
| P4mm (No. 99) | tetragonal | 0.66 | 0.1287 | -1.518 | — |
| — | — | 0.94 | 0.3685 | -1.381 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 4.68 |
| Pbca (No. 61) | orthorhombic | — | — | — | 3.79 |
| Pbca (No. 61) | orthorhombic | — | — | — | 3.87 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.56 |
Frequently Asked Questions
Common questions about NaSbO2, answered from cross-validated data.
What is NaSbO2?
NaSbO2 is a stable, insulating inorganic compound characterized by a wide electronic band gap and diverse structural arrangements.
What is the band gap of NaSbO2?
Is NaSbO2 a metal, semiconductor, or insulator?
Is NaSbO2 thermodynamically stable?
What is the crystal structure of NaSbO2?
How many polymorphs of NaSbO2 are known?
What elements does NaSbO2 contain?
Where does the data for NaSbO2 come from?
How It Compares
As a distinct inorganic compound, NaSbO2 serves as a foundational reference point for studying the stability and electronic behavior of complex antimonate frameworks.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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