CdNCl
CdNCl is a semiconducting inorganic compound composed of cadmium, nitrogen, and chlorine that is currently categorized as a metastable material.
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.
Key Properties
Cross-validated computational properties for CdNCl, 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 CdNCl, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 1.20 | 2.1357 | -8.762 | 3.32 |
| No. 0 | unknown | — | — | — | 0.99 |
| No. 0 | unknown | — | — | — | 0.99 |
| No. 0 | unknown | — | — | — | 0.99 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.82 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.21 |
| P21 (No. 4) | Monoclinic | — | — | — | 4.04 |
| P1 (No. 1) | Triclinic | — | — | — | 3.62 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.27 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.26 |
Applications
Where CdNCl is used.
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.
What is CdNCl used for?
What is the band gap of CdNCl?
Is CdNCl a metal, semiconductor, or insulator?
Is CdNCl thermodynamically stable?
What is the crystal structure of CdNCl?
What is the density of CdNCl?
How many polymorphs of CdNCl are known?
What elements does CdNCl contain?
Where does the data for CdNCl come from?
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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