Cl24N12P12
Hexachlorocyclotriphosphazene trimer · HCCP, Phosphonitrilic chloride trimer
Cl24N12P12 is a stable, ring-structured phosphorus-nitrogen chloride compound used primarily as a chemical precursor for advanced materials.
About Hexachlorocyclotriphosphazene trimer
Cl24N12P12 is a cyclic phosphazene compound characterized by its high thermodynamic stability and insulating electronic nature. Its unique molecular structure, featuring alternating phosphorus and nitrogen atoms in a ring, makes it a critical building block in inorganic chemistry.
This compound serves as a foundational precursor for the synthesis of various polyphosphazenes. Because of its structural integrity and chemical reactivity, it is widely utilized in the development of specialized materials, including high-performance polymers and flame-retardant additives.
Key Properties
Cross-validated computational properties for Hexachlorocyclotriphosphazene trimer, 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 Cl24N12P12, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 4.02 | 0.0000 | -5.331 | 1.91 |
| P42/n (No. 86) | tetragonal | 3.88 | 0.0004 | -5.330 | 2.16 |
| Pnma (No. 62) | orthorhombic | 4.13 | 0.0038 | -5.327 | 1.74 |
| P42/n (No. 86) | tetragonal | 3.65 | 0.0104 | -5.320 | 2.11 |
| P42/n (No. 86) | tetragonal | 2.16 | 0.7240 | -4.607 | 1.08 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.36 |
Applications
Where Hexachlorocyclotriphosphazene trimer is used.
Frequently Asked Questions
Common questions about Hexachlorocyclotriphosphazene trimer, answered from cross-validated data.
What is Cl24N12P12?
Cl24N12P12 is a stable, ring-structured phosphorus-nitrogen chloride compound used primarily as a chemical precursor for advanced materials.
What is Cl24N12P12 used for?
What is the band gap of Cl24N12P12?
Is Cl24N12P12 a metal, semiconductor, or insulator?
Is Cl24N12P12 thermodynamically stable?
What is the crystal structure of Cl24N12P12?
What is the density of Cl24N12P12?
How many polymorphs of Cl24N12P12 are known?
What elements does Cl24N12P12 contain?
Where does the data for Cl24N12P12 come from?
How It Compares
As a prominent member of the cyclic phosphazene family, this compound is recognized for its exceptional stability and serves as the primary starting material for a broad range of functionalized phosphazene derivatives.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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