C8H16N16

C8H16N16 is a wide-gap insulating molecular compound composed of carbon, hydrogen, and nitrogen that exhibits significant thermodynamic instability.

CHN
Crystal structure of C8H16N16
Ground-state structure · Materials Project
Overview

About C8H16N16

C8H16N16 is a complex nitrogen-rich molecular structure characterized by its wide-gap insulating electronic profile. Its composition suggests a highly energetic potential, though it remains a niche subject of study due to its thermodynamic instability relative to the ground state.

Because it exists above the hull, this compound is primarily of interest in theoretical research and structural chemistry. Its diverse reported configurations highlight the complexity of nitrogen-carbon bonding arrangements in high-nitrogen systems.

At a glance

Key Properties

Cross-validated computational properties for C8H16N16, aggregated across 3 databases.

Band Gap

4.71–4.86 eV
Range across DFT structures

Energy Above Hull

0.139 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

15
3 databases, 3 space groups
Reference

Frequently Asked Questions

Common questions about C8H16N16, answered from cross-validated data.

What is C8H16N16?

C8H16N16 is a wide-gap insulating molecular compound composed of carbon, hydrogen, and nitrogen that exhibits significant thermodynamic instability.

More questions
What is the band gap of C8H16N16?
C8H16N16 has a DFT-computed band gap of 4.71–4.86 eV across 15 reported structures.
Is C8H16N16 a metal, semiconductor, or insulator?
With a wide band gap up to 4.86 eV it is an insulator / wide-band-gap material.
Is C8H16N16 thermodynamically stable?
C8H16N16 has a lowest energy above hull of 0.139 eV/atom (above hull).
How many polymorphs of C8H16N16 are known?
15 structures of C8H16N16 are reported across 3 databases, spanning 3 distinct space groups.
What elements does C8H16N16 contain?
C8H16N16 contains C, H, and N (3 elements).
Where does the data for C8H16N16 come from?
C8H16N16 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique nitrogen-rich structure, C8H16N16 serves as a case study for metastable molecular frameworks, representing a class of materials that challenge conventional synthesis due to their inherent thermodynamic instability.

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

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