C4H4N4

succinonitrile · butanedinitrile, ethylene dicyanide

C4H4N4 is a structurally diverse, nitrogen-rich organic insulator used primarily as a precursor in chemical synthesis and electrochemical applications.

CHN
Crystal structure of C4H4N4
Ground-state structure · Materials Project
Overview

About succinonitrile

C4H4N4 is a nitrogen-rich organic compound characterized by its insulating electronic properties. As a wide-gap material, it serves as a specialized building block in chemical synthesis and electrolyte research, where its molecular structure allows for unique interactions within complex systems.

Despite being positioned above the thermodynamic hull, this compound is notable for its significant structural diversity, with numerous reported configurations across scientific databases. This structural flexibility makes it a subject of interest for researchers exploring metastable phases and their potential utility in specialized material design.

At a glance

Key Properties

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

Band Gap

3.62–6.58 eV
Range across DFT structures

Energy Above Hull

0.171 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

19
5 databases, 5 space groups
Uses

Applications

Where succinonitrile is used.

Electrolyte additive for lithium-ion batteriesOrganic chemical synthesis intermediateSolvent in specialized electrochemical processes
Reference

Frequently Asked Questions

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

What is C4H4N4?

C4H4N4 is a structurally diverse, nitrogen-rich organic insulator used primarily as a precursor in chemical synthesis and electrochemical applications.

More questions
What is C4H4N4 used for?
succinonitrile (C4H4N4) is used in electrolyte additive for lithium-ion batteries, organic chemical synthesis intermediate, and solvent in specialized electrochemical processes.
What is the band gap of C4H4N4?
succinonitrile (C4H4N4) has a DFT-computed band gap of 3.62–6.58 eV across 19 reported structures.
Is C4H4N4 a metal, semiconductor, or insulator?
With a wide band gap up to 6.58 eV it is an insulator / wide-band-gap material.
Is C4H4N4 thermodynamically stable?
succinonitrile (C4H4N4) has a lowest energy above hull of 0.171 eV/atom (above hull).
How many polymorphs of C4H4N4 are known?
19 structures of C4H4N4 are reported across 5 databases, spanning 5 distinct space groups.
What elements does C4H4N4 contain?
succinonitrile (C4H4N4) contains C, H, and N (3 elements).
Where does the data for C4H4N4 come from?
C4H4N4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this context, C4H4N4 represents a distinct class of nitrogen-containing organic molecules that prioritize structural variety over ground-state thermodynamic stability, setting it apart from more conventional, highly stable inorganic insulators.

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

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