C4H4N4
Succinonitrile · Butanedinitrile, Ethylene dicyanide
Succinonitrile is an organic compound that exists as a waxy solid at room temperature. It is primarily utilized as a specialty solvent and as an electrolyte additive in advanced battery technologies to improve stability and performance.
CHN
Overview
Key Properties
Cross-validated computational properties for Succinonitrile, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
3.62–6.58 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.171 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Above hull
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
19
5 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for C4H4N4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.62 | 0.1715 | -7.080 | 1.32 |
| P213 (No. 198) | cubic | 3.64 | 0.3800 | -6.872 | 2.75 |
| I4mm (No. 107) | tetragonal | 6.50 | 0.4607 | -6.791 | 0.97 |
| Imm2 (No. 44) | orthorhombic | 6.58 | 0.4638 | -6.788 | 1.03 |
| — | — | — | — | — | 1.33 |
| No. 0 | unknown | — | — | — | 0.37 |
| — | — | — | — | — | 1.33 |
| — | — | — | — | — | 1.90 |
| P213 (No. 198) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.38 |
| — | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.39 |
Uses
Applications
Where Succinonitrile is used.
Electrolyte additive for lithium-ion batteriesSpecialty solventChemical intermediate in organic synthesis
Reference
Frequently Asked Questions
Common questions about Succinonitrile, answered from cross-validated data.
What is C4H4N4?
Succinonitrile is an organic compound that exists as a waxy solid at room temperature. It is primarily utilized as a specialty solvent and as an electrolyte additive in advanced battery technologies to improve stability and performance.
More questions
What is C4H4N4 used for?
Succinonitrile (C4H4N4) is used in electrolyte additive for lithium-ion batteries, specialty solvent, and chemical intermediate in organic synthesis.
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).
What is the crystal structure of C4H4N4?
The lowest-energy reported polymorph of Succinonitrile (C4H4N4) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of C4H4N4?
The computed density of the ground-state structure of Succinonitrile (C4H4N4) is 1.32 g/cm³.
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 materials_project, omat24, cod, aflow, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
Analyze C4H4N4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →