CdBr2
Cadmium bromide
Cadmium bromide is a stable, semiconducting inorganic halide used primarily as a chemical reagent and in specialized material synthesis.
About Cadmium bromide
Cadmium bromide is a thermodynamically stable inorganic compound characterized by its semiconducting electronic nature. As a member of the metal halide family, it exhibits a well-defined crystal structure and is recognized for its structural versatility, supported by extensive experimental data across multiple databases.
This compound serves as a critical precursor in various chemical syntheses and is valued for its specific optical and electronic properties. Its stability on the convex hull makes it a reliable subject for research into halide-based materials and their potential integration into advanced functional devices.
Key Properties
Cross-validated computational properties for Cadmium bromide, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CdBr2. 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 CdBr2, 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. |
|---|---|---|---|---|---|
| — | — | 2.99 | 0.0000 | -1.101 | — |
| R-3m (No. 166) | trigonal | 2.85 | 0.0000 | -2.638 | 4.89 |
| P63mc (No. 186) | hexagonal | 2.74 | 0.0000 | -0.885 | — |
| R-3m (No. 166) | trigonal | 2.74 | 0.0001 | -0.885 | — |
| R-3m (No. 166) | trigonal | 2.88 | 0.0001 | -2.638 | 4.97 |
| — | — | 2.92 | 0.0003 | -1.101 | — |
| P63mc (No. 186) | hexagonal | 2.94 | 0.0003 | -2.637 | 4.99 |
| — | — | 3.04 | 0.0005 | -1.100 | — |
| R-3m (No. 166) | trigonal | 2.68 | 0.0006 | -0.885 | — |
| — | — | 2.91 | 0.0019 | -1.099 | — |
| — | — | 2.93 | 0.0048 | -1.096 | — |
| — | — | 2.86 | 0.0081 | -1.093 | — |
Applications
Where Cadmium bromide is used.
Frequently Asked Questions
Common questions about Cadmium bromide, answered from cross-validated data.
What is CdBr2?
Cadmium bromide is a stable, semiconducting inorganic halide used primarily as a chemical reagent and in specialized material synthesis.
What is CdBr2 used for?
What is the band gap of CdBr2?
Is CdBr2 a metal, semiconductor, or insulator?
Is CdBr2 thermodynamically stable?
What is the crystal structure of CdBr2?
How many polymorphs of CdBr2 are known?
What elements does CdBr2 contain?
Where does the data for CdBr2 come from?
How It Compares
As a stable halide, cadmium bromide represents a fundamental building block in inorganic chemistry. While it shares the general characteristics of metal-halogen bonding found in similar semiconducting halides, its specific structural configuration allows it to function as a key reference point for understanding the behavior of cadmium-based materials in various chemical environments.
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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