C12Cl4H28N24
C12Cl4H28N24 is a thermodynamically stable, insulating complex compound composed of carbon, chlorine, hydrogen, and nitrogen.
About C12Cl4H28N24
C12Cl4H28N24 is a complex organic-inorganic hybrid compound that exhibits a wide-band-gap electronic character. Its status as a thermodynamically stable phase on the convex hull suggests a robust structural configuration that is favorable under standard conditions.
This material is of interest for specialized applications requiring insulating properties and stable molecular architectures. Its unique composition of carbon, chlorine, hydrogen, and nitrogen allows for distinct interactions within its crystalline framework, making it a subject of interest for structural research.
Key Properties
Cross-validated computational properties for C12Cl4H28N24, 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 C12Cl4H28N24, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 3.98 | 0.0000 | -6.524 | 1.62 |
| — | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.41 |
Applications
Where C12Cl4H28N24 is used.
Frequently Asked Questions
Common questions about C12Cl4H28N24, answered from cross-validated data.
What is C12Cl4H28N24?
C12Cl4H28N24 is a thermodynamically stable, insulating complex compound composed of carbon, chlorine, hydrogen, and nitrogen.
What is C12Cl4H28N24 used for?
What is the band gap of C12Cl4H28N24?
Is C12Cl4H28N24 a metal, semiconductor, or insulator?
Is C12Cl4H28N24 thermodynamically stable?
What is the crystal structure of C12Cl4H28N24?
What is the density of C12Cl4H28N24?
How many polymorphs of C12Cl4H28N24 are known?
What elements does C12Cl4H28N24 contain?
Where does the data for C12Cl4H28N24 come from?
How It Compares
As a unique compound within its structural category, C12Cl4H28N24 serves as a benchmark for understanding the stability of complex nitrogen-rich molecular frameworks. Without direct structural siblings, it stands as a singular example of how specific halogen and organic combinations can achieve thermodynamic stability in a wide-gap insulating state.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze C12Cl4H28N24 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →