NNaO2
NNaO2 is a semiconducting inorganic compound that is theoretically stable enough to be considered a viable target for laboratory synthesis.
About NNaO2
NNaO2 is an inorganic compound characterized by its semiconducting electronic nature. Its position near the thermodynamic hull suggests it is a viable candidate for synthesis, making it a subject of interest for researchers exploring new chemical spaces. The material has been documented across multiple databases, reflecting its presence in structural studies.
As a material with multiple reported structures, it represents a unique entry in inorganic chemistry. Its stability profile indicates that while it may require specific conditions for formation, it remains a significant target for experimental validation and further characterization in solid-state science.
Key Properties
Cross-validated computational properties for NNaO2, 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 NNaO2. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for NNaO2, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for NNaO2, 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. |
|---|---|---|---|---|---|
| Imm2 (No. 44) | orthorhombic | 2.45 | 0.0184 | -6.120 | 2.25 |
| P-1 (No. 2) | triclinic | 2.16 | 0.0299 | -6.109 | 2.01 |
| Pmmn (No. 59) | orthorhombic | 2.42 | 0.0415 | -7.083 | 2.19 |
| P21/m (No. 11) | monoclinic | 0.00 | 1.9128 | -4.226 | 1.76 |
| P1 (No. 1) | triclinic | — | — | — | 8.38 |
| Imm2 (No. 44) | orthorhombic | — | — | — | 2.16 |
| Imm2 (No. 44) | orthorhombic | — | — | — | 2.06 |
| Imm2 (No. 44) | orthorhombic | — | — | — | — |
| Imm2 (No. 44) | orthorhombic | — | — | — | 2.07 |
| Imm2 (No. 44) | orthorhombic | — | — | — | 2.20 |
| Immm (No. 71) | orthorhombic | — | — | — | 2.05 |
Applications
Where NNaO2 is used.
Frequently Asked Questions
Common questions about NNaO2, answered from cross-validated data.
What is NNaO2?
NNaO2 is a semiconducting inorganic compound that is theoretically stable enough to be considered a viable target for laboratory synthesis.
What is NNaO2 used for?
What is the band gap of NNaO2?
Is NNaO2 a metal, semiconductor, or insulator?
Is NNaO2 thermodynamically stable?
What is the crystal structure of NNaO2?
What is the density of NNaO2?
How many polymorphs of NNaO2 are known?
What elements does NNaO2 contain?
Where does the data for NNaO2 come from?
How It Compares
As a standalone entry in this context, NNaO2 serves as a foundational example of a semiconducting material residing near the thermodynamic stability limit. Its structural diversity compared to other potential phases highlights the complexity of nitrogen-sodium-oxygen systems and provides a baseline for future exploration of similar inorganic compounds.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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