CuN3

CuN3 is a semiconducting copper-nitrogen compound that exists in a metastable state with a wide variety of documented structural forms.

CuN
Crystal structure of CuN3
Ground-state structure · Materials Project
Overview

About CuN3

CuN3 is a binary compound composed of copper and nitrogen that exhibits semiconducting electronic properties. Its structural landscape is notably diverse, as evidenced by a substantial collection of reported configurations across various materials databases.

Due to its position relative to the thermodynamic hull, this material is considered to be in a metastable state. This inherent instability makes it a subject of significant interest for researchers investigating high-energy density materials and the fundamental limits of copper-nitrogen bonding.

At a glance

Key Properties

Cross-validated computational properties for CuN3, aggregated across 3 databases.

Band Gap

1.39–1.63 eV
Range across DFT structures

Energy Above Hull

0.294 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

88
3 databases, 22 space groups
Uses

Applications

Where CuN3 is used.

High-energy density material researchFundamental solid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about CuN3, answered from cross-validated data.

What is CuN3?

CuN3 is a semiconducting copper-nitrogen compound that exists in a metastable state with a wide variety of documented structural forms.

More questions
What is CuN3 used for?
CuN3 is used in high-energy density material research and fundamental solid-state chemistry studies.
What is the band gap of CuN3?
CuN3 has a DFT-computed band gap of 1.39–1.63 eV across 88 reported structures.
Is CuN3 a metal, semiconductor, or insulator?
With a band gap up to 1.63 eV it is a semiconductor.
Is CuN3 thermodynamically stable?
CuN3 has a lowest energy above hull of 0.294 eV/atom (above hull).
How many polymorphs of CuN3 are known?
88 structures of CuN3 are reported across 3 databases, spanning 22 distinct space groups.
What elements does CuN3 contain?
CuN3 contains Cu and N (2 elements).
Where does the data for CuN3 come from?
CuN3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary system, CuN3 occupies a specialized niche in materials science where the interplay between copper and nitrogen creates complex structural possibilities. Unlike more conventional, highly stable binary compounds, its propensity for metastability drives ongoing exploration into its synthesis and potential utility in specialized chemical environments.

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

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