CoBr2
Cobalt(II) bromide · Cobaltous bromide
Cobalt(II) bromide is a stable, semiconducting inorganic salt widely utilized as a chemical catalyst and synthetic precursor.
About Cobalt(II) bromide
Cobalt(II) bromide is a thermodynamically stable inorganic compound that functions as a semiconductor. Its structural versatility is evidenced by the extensive number of reported crystal structures, making it a well-documented subject in solid-state chemistry and coordination science.
This material serves as a vital precursor in the synthesis of various cobalt-containing complexes and catalysts. Due to its stability and electronic properties, it is frequently employed in industrial chemical processes and as a fundamental building block in the development of specialized materials.
Key Properties
Cross-validated computational properties for Cobalt(II) 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 CoBr2. 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 CoBr2, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.11 | 0.0000 | -4.137 | 4.67 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0000 | -0.285 | — |
| — | — | 0.19 | 0.0326 | -0.500 | — |
| — | — | 0.28 | 0.0347 | -0.498 | — |
| — | — | 0.00 | 0.0444 | -0.488 | — |
| — | — | 0.00 | 0.1130 | -0.420 | — |
| — | — | 0.00 | 0.1165 | -0.416 | — |
| — | — | 0.00 | 0.1172 | -0.416 | — |
| — | — | 0.00 | 0.1599 | -0.373 | — |
| — | — | 0.00 | 0.1624 | -0.370 | — |
| — | — | 0.00 | 0.1838 | -0.349 | — |
| — | — | 0.00 | 0.3240 | -0.209 | — |
Applications
Where Cobalt(II) bromide is used.
Frequently Asked Questions
Common questions about Cobalt(II) bromide, answered from cross-validated data.
What is CoBr2?
Cobalt(II) bromide is a stable, semiconducting inorganic salt widely utilized as a chemical catalyst and synthetic precursor.
What is CoBr2 used for?
What is the band gap of CoBr2?
Is CoBr2 a metal, semiconductor, or insulator?
Is CoBr2 thermodynamically stable?
What is the crystal structure of CoBr2?
What is the density of CoBr2?
How many polymorphs of CoBr2 are known?
What elements does CoBr2 contain?
Where does the data for CoBr2 come from?
How It Compares
As a stable and well-characterized inorganic compound, cobalt(II) bromide occupies a central role in the study of transition metal halides. It serves as a benchmark for understanding the structural and electronic behavior of cobalt-based systems within the broader class of metal dihalides.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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