CdNCl

CdNCl is a semiconducting inorganic compound composed of cadmium, nitrogen, and chlorine that is currently categorized as a metastable material.

CdClN
Overview

About CdNCl

CdNCl is an inorganic compound featuring cadmium, nitrogen, and chlorine. As a semiconducting material, it represents a unique combination of elements that has been the subject of structural investigation across various databases.

Due to its position relative to the thermodynamic hull, this compound is considered metastable. Its study provides valuable insights into the synthesis and stability of complex nitrogen-containing halides in materials science.

At a glance

Key Properties

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

Band Gap

1.20 eV
Range across DFT structures

Energy Above Hull

2.136 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

10
3 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for CdNCl, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmmm (No. 65)orthorhombic1.202.1357-8.7623.32
No. 0unknown0.99
No. 0unknown0.99
No. 0unknown0.99
Pm (No. 6)Monoclinic2.82
Pm (No. 6)Monoclinic4.21
P21 (No. 4)Monoclinic4.04
P1 (No. 1)Triclinic3.62
Pm (No. 6)Monoclinic2.27
Pm (No. 6)Monoclinic2.26
Uses

Applications

Where CdNCl is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is CdNCl?

CdNCl is a semiconducting inorganic compound composed of cadmium, nitrogen, and chlorine that is currently categorized as a metastable material.

More questions
What is CdNCl used for?
CdNCl is used in materials science research and solid-state chemistry studies.
What is the band gap of CdNCl?
CdNCl has a DFT-computed band gap of 1.20 eV across 10 reported structures.
Is CdNCl a metal, semiconductor, or insulator?
With a band gap up to 1.20 eV it is a semiconductor.
Is CdNCl thermodynamically stable?
CdNCl has a lowest energy above hull of 2.136 eV/atom (above hull).
What is the crystal structure of CdNCl?
The lowest-energy reported polymorph of CdNCl is orthorhombic symmetry, space group Cmmm (No. 65).
What is the density of CdNCl?
The computed density of the ground-state structure of CdNCl is 3.32 g/cm³.
How many polymorphs of CdNCl are known?
10 structures of CdNCl are reported across 3 databases, spanning 5 distinct space groups.
What elements does CdNCl contain?
CdNCl contains Cd, Cl, and N (3 elements).
Where does the data for CdNCl come from?
CdNCl data is cross-referenced from materials_project, cod, mpaloe.
Comparison

How It Compares

As a specialized inorganic compound, CdNCl occupies a distinct niche in materials research. Without direct structural analogs in its immediate class, it serves as a singular point of interest for researchers investigating the limits of stability in cadmium-based halide-nitride systems.

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).
  • mpaloe — Data from mpaloe.

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