H2CN5

H2CN5 is a nitrogen-rich insulating compound that exists in a metastable state and is primarily studied for its structural and electronic properties.

CHN
Crystal structure of H2CN5
Ground-state structure · Materials Project
Overview

About H2CN5

H2CN5 is a complex nitrogen-rich compound composed of carbon, hydrogen, and nitrogen. As a wide-band-gap insulator, it exhibits distinct electronic characteristics that distinguish it from typical conductive materials. Its structural configuration is of significant interest for fundamental research into high-nitrogen systems.

Due to its position above the thermodynamic hull, this material is considered metastable or unstable under standard conditions. While it is not currently utilized in mainstream industrial technologies, it serves as a critical subject for theoretical studies regarding the synthesis and stability of nitrogen-heavy molecular frameworks.

At a glance

Key Properties

Cross-validated computational properties for H2CN5, aggregated across 3 databases.

Band Gap

4.12 eV
Range across DFT structures

Energy Above Hull

0.162 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

7
3 databases, 4 space groups
Reference

Frequently Asked Questions

Common questions about H2CN5, answered from cross-validated data.

What is H2CN5?

H2CN5 is a nitrogen-rich insulating compound that exists in a metastable state and is primarily studied for its structural and electronic properties.

More questions
What is the band gap of H2CN5?
H2CN5 has a DFT-computed band gap of 4.12 eV across 7 reported structures.
Is H2CN5 a metal, semiconductor, or insulator?
With a wide band gap up to 4.12 eV it is an insulator / wide-band-gap material.
Is H2CN5 thermodynamically stable?
H2CN5 has a lowest energy above hull of 0.162 eV/atom (above hull).
How many polymorphs of H2CN5 are known?
7 structures of H2CN5 are reported across 3 databases, spanning 4 distinct space groups.
What elements does H2CN5 contain?
H2CN5 contains C, H, and N (3 elements).
Where does the data for H2CN5 come from?
H2CN5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified compound with a unique stoichiometry, H2CN5 represents a specialized area of chemical exploration. Without established siblings in a defined class, it stands as a singular case study for researchers investigating the limits of nitrogen-rich insulating materials.

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

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