N2O
nitrous oxide · laughing gas, dinitrogen monoxide
Nitrous oxide is a gaseous nitrogen-oxygen compound widely utilized as an anesthetic agent and an oxidizer in propulsion systems.
About nitrous oxide
Nitrous oxide is a gaseous compound composed of nitrogen and oxygen. It functions as a wide-band-gap insulator and is characterized by its distinct molecular structure, which plays a significant role in various chemical and industrial processes. Because it sits above the thermodynamic hull, it is considered a metastable species that requires careful handling under specific conditions.
This compound is widely recognized for its applications in medical settings and high-performance engineering. Its unique electronic properties and reactivity make it a versatile agent in both clinical anesthesia and as an oxidizer in combustion systems, where it provides a reliable source of oxygen for rapid energy release.
Key Properties
Cross-validated computational properties for nitrous oxide, aggregated across 5 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 N2O. 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 N2O, 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. |
|---|---|---|---|---|---|
| — | — | 5.43 | 0.0872 | -0.166 | — |
| P213 (No. 198) | cubic | 6.24 | 0.1562 | -7.395 | 1.62 |
| P213 (No. 198) | cubic | 6.00 | 0.1742 | 0.075 | — |
| Pnma (No. 62) | orthorhombic | 5.57 | 0.2114 | 0.112 | — |
| P1 (No. 1) | triclinic | 5.49 | 0.2214 | 0.122 | — |
| Pnma (No. 62) | orthorhombic | 4.74 | 0.2568 | -7.294 | 1.87 |
| P3121 (No. 152) | trigonal | 0.97 | 1.1290 | -6.422 | 1.08 |
| Pmm2 (No. 25) | orthorhombic | 1.18 | 1.2795 | 1.180 | — |
| — | — | 2.50 | 1.5973 | 1.344 | — |
| Pa-3 (No. 205) | cubic | 3.33 | 1.6661 | -5.885 | 1.39 |
| Pa-3 (No. 205) | cubic | 3.17 | 1.6728 | 1.573 | — |
| — | — | 0.00 | 3.6141 | 3.361 | — |
Applications
Where nitrous oxide is used.
Patent Landscape
20 patents reference N2O or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 6890499 | Catalyst for decomposing N2O, its use and method for the production thereof | — | — |
| 9738521 | Method for removing N2O and NOx from the nitric acid production process, and an installation suitable for same | — | — |
| 10899617 | Method for removing N2O and NOx from the nitric acid production process, and an installation suitable for same | — | — |
| 6517797 | Process for separation of NOx from N2O in a mixture | — | — |
| 7259121 | Method of reducing the N2O content of gases and selected catalysts | — | — |
| 8449655 | Process for isolating N2O | — | — |
| 12084343 | Transient N2O decomposition process and reactor | — | — |
| 8808430 | Process for purifying N2O | — | — |
| 11202992 | Process for the production of nitric acid with tertiary abatement of N2O and NOx | — | — |
| 6244071 | Process for purifying a cryogenic fluid containing N2O, CnHm and/or NOx impurities | — | — |
Frequently Asked Questions
Common questions about nitrous oxide, answered from cross-validated data.
What is N2O?
Nitrous oxide is a gaseous nitrogen-oxygen compound widely utilized as an anesthetic agent and an oxidizer in propulsion systems.
What is N2O used for?
What is the band gap of N2O?
Is N2O a metal, semiconductor, or insulator?
Is N2O thermodynamically stable?
What is the crystal structure of N2O?
What is the density of N2O?
How many polymorphs of N2O are known?
What elements does N2O contain?
Where does the data for N2O come from?
How It Compares
As a standalone molecular species in this context, nitrous oxide serves as a fundamental reference point for nitrogen-oxygen bonding chemistry. Unlike more complex solid-state oxides, its status as a metastable gas highlights the distinct energetic landscape that defines its utility compared to more stable, solid nitrogen-based compounds.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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