C2H18N18
This compound is a complex nitrogen-rich organic molecule characterized by a high proportion of nitrogen atoms relative to its carbon content. Due to its chemical structure, it is primarily studied in the context of high-energy materials research and specialized chemical synthesis.
Key Properties
Cross-validated computational properties for C2H18N18, aggregated across 3 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for C2H18N18, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.05 | 0.1523 | -6.181 | 1.32 |
| P21/c (No. 14) | monoclinic | 4.53 | 0.1746 | -6.159 | 1.39 |
| No. 0 | unknown | — | — | — | 0.73 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where C2H18N18 is used.
Frequently Asked Questions
Common questions about C2H18N18, answered from cross-validated data.
What is C2H18N18?
This compound is a complex nitrogen-rich organic molecule characterized by a high proportion of nitrogen atoms relative to its carbon content. Due to its chemical structure, it is primarily studied in the context of high-energy materials research and specialized chemical synthesis.
What is C2H18N18 used for?
What is the band gap of C2H18N18?
Is C2H18N18 a metal, semiconductor, or insulator?
Is C2H18N18 thermodynamically stable?
What is the crystal structure of C2H18N18?
What is the density of C2H18N18?
How many polymorphs of C2H18N18 are known?
What elements does C2H18N18 contain?
Where does the data for C2H18N18 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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).
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