C4Cl28N16P12

C4Cl28N16P12 is a complex, wide-gap insulating compound composed of carbon, chlorine, nitrogen, and phosphorus that is considered a candidate for laboratory synthesis.

CClNP
Crystal structure of C4Cl28N16P12
Ground-state structure · Materials Project
Overview

About C4Cl28N16P12

C4Cl28N16P12 is a structurally intricate compound composed of carbon, chlorine, nitrogen, and phosphorus. Its electronic character identifies it as a wide-gap insulator, suggesting limited electrical conductivity and potential utility in dielectric or specialized chemical applications.

As a near-hull material, it is considered thermodynamically stable enough to be a target for synthetic efforts in laboratory settings. Its existence across multiple reported structures highlights its significance as a subject for advanced structural chemistry research.

At a glance

Key Properties

Cross-validated computational properties for C4Cl28N16P12, aggregated across 3 databases.

Band Gap

3.47 eV
Range across DFT structures

Energy Above Hull

0.025 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

3
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about C4Cl28N16P12, answered from cross-validated data.

What is C4Cl28N16P12?

C4Cl28N16P12 is a complex, wide-gap insulating compound composed of carbon, chlorine, nitrogen, and phosphorus that is considered a candidate for laboratory synthesis.

More questions
What is the band gap of C4Cl28N16P12?
C4Cl28N16P12 has a DFT-computed band gap of 3.47 eV across 3 reported structures.
Is C4Cl28N16P12 a metal, semiconductor, or insulator?
With a wide band gap up to 3.47 eV it is an insulator / wide-band-gap material.
Is C4Cl28N16P12 thermodynamically stable?
C4Cl28N16P12 has a lowest energy above hull of 0.025 eV/atom (near hull (likely stable)).
How many polymorphs of C4Cl28N16P12 are known?
3 structures of C4Cl28N16P12 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C4Cl28N16P12 contain?
C4Cl28N16P12 contains C, Cl, N, and P (4 elements).
Where does the data for C4Cl28N16P12 come from?
C4Cl28N16P12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in its chemical class, C4Cl28N16P12 serves as a foundational example of complex phosphorus-based molecular frameworks, providing a benchmark for understanding the stability and electronic behavior of highly chlorinated nitrogen-phosphorus systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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