CdI2
Cadmium iodide · Cadmium(II) iodide
Cadmium iodide is a stable, semiconducting inorganic compound widely recognized for its layered crystal structure and extensive research history.
About Cadmium iodide
Cadmium iodide is a well-characterized semiconducting compound that exists in a thermodynamically stable state. Its structural versatility is evidenced by the extensive collection of reported crystal structures across multiple databases, making it a foundational subject for solid-state chemistry studies. The material is primarily recognized for its layered architecture, which facilitates its use in various specialized chemical and optical applications. As a stable inorganic halide, it serves as a critical reference point for understanding the behavior of cadmium-based semiconductors in diverse environments. Its predictable electronic character and robust thermodynamic profile allow researchers to utilize it as a benchmark for developing new functional materials.
Key Properties
Cross-validated computational properties for Cadmium iodide, 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 CdI2. 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 CdI2, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 2.34 | 0.0000 | -2.163 | 5.34 |
| P3m1 (No. 156) | trigonal | 2.35 | 0.0000 | -2.163 | 5.30 |
| P3m1 (No. 156) | trigonal | 2.38 | 0.0000 | -2.163 | 5.29 |
| P3m1 (No. 156) | trigonal | 1.96 | 0.0000 | -2.163 | 5.32 |
| P3m1 (No. 156) | trigonal | 2.38 | 0.0000 | -2.163 | 5.28 |
| P3m1 (No. 156) | trigonal | 2.36 | 0.0001 | -2.163 | 5.29 |
| P3m1 (No. 156) | trigonal | 2.36 | 0.0001 | -2.163 | 5.30 |
| P3m1 (No. 156) | trigonal | 2.40 | 0.0001 | -2.163 | 5.28 |
| P3m1 (No. 156) | trigonal | 2.35 | 0.0001 | -2.163 | 5.29 |
| P-3m1 (No. 164) | trigonal | 2.03 | 0.0001 | -2.163 | 5.35 |
| P3m1 (No. 156) | trigonal | 2.36 | 0.0001 | -2.163 | 5.25 |
| P-3m1 (No. 164) | trigonal | 2.36 | 0.0001 | -2.163 | 5.27 |
Applications
Where Cadmium iodide is used.
Frequently Asked Questions
Common questions about Cadmium iodide, answered from cross-validated data.
What is CdI2?
Cadmium iodide is a stable, semiconducting inorganic compound widely recognized for its layered crystal structure and extensive research history.
What is CdI2 used for?
What is the band gap of CdI2?
Is CdI2 a metal, semiconductor, or insulator?
Is CdI2 thermodynamically stable?
What is the crystal structure of CdI2?
What is the density of CdI2?
How many polymorphs of CdI2 are known?
What elements does CdI2 contain?
Where does the data for CdI2 come from?
How It Compares
As a highly studied compound with a vast array of documented structural configurations, cadmium iodide serves as a primary archetype for layered halide systems, providing a standard against which other binary metal halides are measured.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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