C4Cl8H36N20
C4Cl8H36N20 is a complex, wide-band-gap insulating compound composed of carbon, chlorine, hydrogen, and nitrogen that exists as a metastable structure.
About C4Cl8H36N20
C4Cl8H36N20 is a complex molecular assembly composed of carbon, chlorine, hydrogen, and nitrogen. As a wide-band-gap insulator, it exhibits distinct electronic properties characteristic of materials that do not readily conduct electrical charge. Its structural configuration suggests a highly specific arrangement of organic and inorganic components within its lattice.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. While it has been documented in structural databases, its complex nature makes it a subject of interest for fundamental research into the synthesis and stability of high-nitrogen organic-inorganic hybrids.
Key Properties
Cross-validated computational properties for C4Cl8H36N20, 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 C4Cl8H36N20, 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 | 4.72 | 0.1418 | -5.465 | 1.54 |
| No. 0 | unknown | — | — | — | 0.41 |
| No. 0 | unknown | — | — | — | 0.41 |
| P21/c (No. 14) | — | — | — | — | — |
Frequently Asked Questions
Common questions about C4Cl8H36N20, answered from cross-validated data.
What is C4Cl8H36N20?
C4Cl8H36N20 is a complex, wide-band-gap insulating compound composed of carbon, chlorine, hydrogen, and nitrogen that exists as a metastable structure.
What is the band gap of C4Cl8H36N20?
Is C4Cl8H36N20 a metal, semiconductor, or insulator?
Is C4Cl8H36N20 thermodynamically stable?
What is the crystal structure of C4Cl8H36N20?
What is the density of C4Cl8H36N20?
How many polymorphs of C4Cl8H36N20 are known?
What elements does C4Cl8H36N20 contain?
Where does the data for C4Cl8H36N20 come from?
How It Compares
As a unique entry in its class, C4Cl8H36N20 represents a specialized structural motif. Without direct siblings for comparison, it serves as a critical data point for understanding the limits of stability in multi-element molecular crystals containing high concentrations of nitrogen and chlorine.
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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