NaNO
NaNO is a metastable, wide-band-gap insulating compound that serves as an important subject for research into the structural diversity of alkali-nitrogen-oxygen systems.
About NaNO
NaNO is an insulating compound characterized by a wide electronic band gap. As a metastable material, it represents a complex structural system that has been documented across multiple databases, reflecting significant interest in its atomic configuration and potential chemical behavior. Its existence as a metastable phase suggests a delicate balance of internal forces that define its unique electronic landscape. The study of this compound contributes to a broader understanding of how alkali-nitrogen-oxygen systems can be stabilized under specific conditions. By examining its structural diversity, researchers can better map the energetic pathways that govern the formation and stability of such unconventional inorganic materials.
Key Properties
Cross-validated computational properties for NaNO, 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 NaNO. 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 NaNO, 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. |
|---|---|---|---|---|---|
| — | — | 3.38 | 0.0134 | -0.979 | — |
| P21/c (No. 14) | monoclinic | 3.39 | 0.0599 | -0.849 | — |
| P21/c (No. 14) | monoclinic | 3.39 | 0.0849 | -5.838 | 2.38 |
| — | — | 2.54 | 0.1304 | -0.862 | — |
| — | — | 0.00 | 0.3923 | -0.600 | — |
| — | — | 0.00 | 3.1023 | 2.110 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 2.41 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.47 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.38 |
Frequently Asked Questions
Common questions about NaNO, answered from cross-validated data.
What is NaNO?
NaNO is a metastable, wide-band-gap insulating compound that serves as an important subject for research into the structural diversity of alkali-nitrogen-oxygen systems.
What is the band gap of NaNO?
Is NaNO a metal, semiconductor, or insulator?
Is NaNO thermodynamically stable?
What is the crystal structure of NaNO?
How many polymorphs of NaNO are known?
What elements does NaNO contain?
Where does the data for NaNO come from?
How It Compares
As a unique inorganic material, NaNO functions as an intriguing subject for study within the landscape of metastable nitrogen-containing compounds, where its insulating nature distinguishes it from more conductive or reactive phases found in similar chemical families.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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