CNO2
CNO2 is a metastable, semiconducting compound composed of carbon, nitrogen, and oxygen.
About CNO2
CNO2 is a complex carbon-nitrogen-oxygen compound that exhibits semiconducting electronic properties. Its structural configuration places it in a category of materials that are often investigated for their unique bonding arrangements in high-energy chemistry.
Because this compound sits above the thermodynamic hull, it is considered inherently unstable under standard conditions. Despite this, its existence in multiple structural forms across various databases highlights the ongoing scientific interest in mapping its potential configurations.
Key Properties
Cross-validated computational properties for CNO2, 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 CNO2. 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 CNO2, 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. |
|---|---|---|---|---|---|
| P4mm (No. 99) | tetragonal | 0.00 | 1.0770 | 0.085 | — |
| C2/c (No. 15) | monoclinic | 2.92 | 1.0907 | -7.102 | 1.99 |
| C2/c (No. 15) | monoclinic | — | — | — | 1.98 |
Frequently Asked Questions
Common questions about CNO2, answered from cross-validated data.
What is CNO2?
CNO2 is a metastable, semiconducting compound composed of carbon, nitrogen, and oxygen.
What is the band gap of CNO2?
Is CNO2 a metal, semiconductor, or insulator?
Is CNO2 thermodynamically stable?
What is the crystal structure of CNO2?
What is the density of CNO2?
How many polymorphs of CNO2 are known?
What elements does CNO2 contain?
Where does the data for CNO2 come from?
How It Compares
As a unique compound within its chemical space, CNO2 serves as a representative example of metastable carbon-nitrogen-oxygen species that challenge conventional stability models.
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)
- 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)
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