CN2

CN2 is a metastable, insulating carbon-nitrogen compound often studied for its complex structural behavior and potential in high-pressure materials science.

CN
Crystal structure of CN2
Ground-state structure · Materials Project
Overview

About CN2

CN2 is a carbon-nitrogen compound characterized by its wide-band-gap insulating electronic profile. Despite its relative simplicity, it exhibits significant structural diversity, with numerous configurations documented across various computational databases.

Because it exists above the thermodynamic hull, CN2 is considered a metastable phase. Its study is vital for understanding high-pressure carbon-nitrogen chemistry and the potential for synthesizing novel, hard materials that deviate from standard equilibrium states.

At a glance

Key Properties

Cross-validated computational properties for CN2, aggregated across 5 databases.

Band Gap

0.13–4.66 eV
Range across DFT structures

Energy Above Hull

0.374 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

31
5 databases, 13 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of CN2. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: high

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, nomad

Space Group Consensus

All match
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CN2.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where CN2 is used.

High-pressure materials researchTheoretical condensed matter physicsExploratory synthesis of superhard materials
Reference

Frequently Asked Questions

Common questions about CN2, answered from cross-validated data.

What is CN2?

CN2 is a metastable, insulating carbon-nitrogen compound often studied for its complex structural behavior and potential in high-pressure materials science.

More questions
What is CN2 used for?
CN2 is used in high-pressure materials research, theoretical condensed matter physics, and exploratory synthesis of superhard materials.
What is the band gap of CN2?
CN2 has a DFT-computed band gap of 0.13–4.66 eV across 31 reported structures.
Is CN2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.66 eV it is an insulator / wide-band-gap material.
Is CN2 thermodynamically stable?
CN2 has a lowest energy above hull of 0.374 eV/atom (above hull).
How many polymorphs of CN2 are known?
31 structures of CN2 are reported across 5 databases, spanning 13 distinct space groups.
How is CN2 synthesized?
Literature-reported routes for CN2 include sol gel, solid state (3 procedures documented).
What elements does CN2 contain?
CN2 contains C and N (2 elements).
Where does the data for CN2 come from?
CN2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable carbon-nitrogen compound, CN2 serves as a foundational case study for exploring the limits of structural stability in light-element systems where traditional ground-state phases are elusive.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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