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 4 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.
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?
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
- latticegraph — Lattice Graph Materials Intelligence Platform
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