C11N4

C11N4 is a semiconducting carbon-nitrogen compound characterized by its metastable nature and structural diversity.

CN
Crystal structure of C11N4 (tetragonal, P-42m (No. 111))
Ground-state structure · Materials Project
Overview

About C11N4

C11N4 is a carbon-rich nitrogenous compound that exhibits semiconducting electronic properties. Its structural complexity is highlighted by its presence in multiple databases, reflecting ongoing interest in the synthesis and characterization of nitrogen-doped carbon frameworks.

As a material that sits above the thermodynamic hull, C11N4 is considered metastable. This status makes it a subject of significant interest for researchers exploring high-energy density materials or novel carbon-based architectures that require specific synthesis conditions to stabilize.

At a glance

Key Properties

Cross-validated computational properties for C11N4, aggregated across 4 databases.

Band Gap

2.43 eV
Range across DFT structures

Energy Above Hull

0.311 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

8
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for C11N4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-42m (No. 111)tetragonal2.430.3109-9.4183.56
P222 (No. 16)orthorhombic0.001.3649-8.3643.41
P222 (No. 16)
P-42m (No. 111)
P222 (No. 16)
3.42
3.37
P-42m (No. 111)
Uses

Applications

Where C11N4 is used.

Materials science researchHigh-energy density material studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about C11N4, answered from cross-validated data.

What is C11N4?

C11N4 is a semiconducting carbon-nitrogen compound characterized by its metastable nature and structural diversity.

More questions
What is C11N4 used for?
C11N4 is used in materials science research, high-energy density material studies, and semiconductor development.
What is the band gap of C11N4?
C11N4 has a DFT-computed band gap of 2.43 eV across 8 reported structures.
Is C11N4 a metal, semiconductor, or insulator?
With a band gap up to 2.43 eV it is a semiconductor.
Is C11N4 thermodynamically stable?
C11N4 has a lowest energy above hull of 0.311 eV/atom (above hull).
What is the crystal structure of C11N4?
The lowest-energy reported polymorph of C11N4 is tetragonal symmetry, space group P-42m (No. 111).
What is the density of C11N4?
The computed density of the ground-state structure of C11N4 is 3.56 g/cm³.
How many polymorphs of C11N4 are known?
8 structures of C11N4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does C11N4 contain?
C11N4 contains C and N (2 elements).
Where does the data for C11N4 come from?
C11N4 data is cross-referenced from materials_project, aflow, jarvis, omat24.
Comparison

How It Compares

As a unique carbon-nitrogen framework, C11N4 represents a specialized niche in materials science where the interplay between carbon bonding and nitrogen incorporation dictates its electronic behavior. Unlike more conventional stable carbon allotropes, its metastable nature positions it as a target for advanced materials design and high-pressure synthesis studies.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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