CdCl2
cadmium chloride · cadmium dichloride
Cadmium chloride is a stable, insulating inorganic salt frequently used as a precursor in chemical synthesis and materials research.
About cadmium chloride
Cadmium chloride is a robust, thermodynamically stable inorganic compound characterized by its insulating electronic nature. As a well-documented material with extensive structural data, it serves as a fundamental building block in various chemical processes and material science research.
Its stability on the convex hull makes it a reliable precursor in industrial and laboratory settings. The compound is widely recognized for its role in the synthesis of other cadmium-based materials and as a reagent in specialized chemical transformations.
Key Properties
Cross-validated computational properties for cadmium chloride, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CdCl2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CdCl2, 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. |
|---|---|---|---|---|---|
| — | — | 3.62 | 0.0000 | -1.340 | — |
| R-3m (No. 166) | trigonal | 3.52 | 0.0000 | -3.036 | 3.87 |
| P-3m1 (No. 164) | trigonal | 3.40 | 0.0000 | -1.115 | — |
| R-3m (No. 166) | trigonal | 3.34 | 0.0000 | -1.115 | — |
| — | — | 3.69 | 0.0008 | -1.339 | — |
| — | — | 3.71 | 0.0013 | -1.339 | — |
| — | — | 3.71 | 0.0023 | -1.338 | — |
| — | — | 3.60 | 0.0025 | -1.337 | — |
| — | — | 3.69 | 0.0025 | -1.337 | — |
| C2/m (No. 12) | monoclinic | 3.52 | 0.0025 | -3.034 | 3.82 |
| — | — | 3.66 | 0.0037 | -1.336 | — |
| — | — | 3.50 | 0.0045 | -1.335 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting CdCl2.
Applications
Where cadmium chloride is used.
Frequently Asked Questions
Common questions about cadmium chloride, answered from cross-validated data.
What is CdCl2?
Cadmium chloride is a stable, insulating inorganic salt frequently used as a precursor in chemical synthesis and materials research.
What is CdCl2 used for?
What is the band gap of CdCl2?
Is CdCl2 a metal, semiconductor, or insulator?
Is CdCl2 thermodynamically stable?
What is the crystal structure of CdCl2?
What is the density of CdCl2?
How many polymorphs of CdCl2 are known?
How is CdCl2 synthesized?
What elements does CdCl2 contain?
Where does the data for CdCl2 come from?
How It Compares
As a standalone material in this context, cadmium chloride represents a baseline for stable, wide-gap halide structures. Its high degree of structural characterization and thermodynamic reliability distinguish it as a primary reference point for studying cadmium-based chemical systems.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
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