CrBr3
Chromium(III) bromide · Chromic bromide
Chromium(III) bromide is a stable semiconducting halide compound widely utilized for research into magnetic materials and chemical synthesis.
About Chromium(III) bromide
Chromium(III) bromide is a robust, thermodynamically stable inorganic halide that crystallizes in a layered structure. Its semiconducting electronic nature and structural properties make it a subject of significant interest in condensed matter physics and materials science research.
Due to its well-defined crystalline arrangement, this compound serves as a critical building block for investigating low-dimensional magnetic phenomena. It is frequently utilized in specialized laboratory settings to explore the fundamental interactions between charge carriers and spin states in thin-film architectures.
Key Properties
Cross-validated computational properties for Chromium(III) 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 CrBr3. 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 CrBr3, 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. |
|---|---|---|---|---|---|
| — | — | 1.39 | 0.0000 | -1.030 | — |
| R-3 (No. 148) | trigonal | 1.30 | 0.0000 | -0.804 | — |
| R-3 (No. 148) | trigonal | 1.28 | 0.0000 | -4.858 | 4.35 |
| — | — | 1.30 | 0.0047 | -1.026 | — |
| — | — | 1.31 | 0.0061 | -1.024 | — |
| — | — | 1.30 | 0.0068 | -1.023 | — |
| — | — | 1.27 | 0.0166 | -1.014 | — |
| — | — | — | 0.0220 | -1.008 | — |
| — | — | 0.97 | 0.1190 | -0.911 | — |
| — | — | 0.29 | 0.1587 | -0.872 | — |
| — | — | 0.00 | 0.1715 | -0.859 | — |
| — | — | 0.00 | 0.2816 | -0.749 | — |
Applications
Where Chromium(III) bromide is used.
Frequently Asked Questions
Common questions about Chromium(III) bromide, answered from cross-validated data.
What is CrBr3?
Chromium(III) bromide is a stable semiconducting halide compound widely utilized for research into magnetic materials and chemical synthesis.
What is CrBr3 used for?
What is the band gap of CrBr3?
Is CrBr3 a metal, semiconductor, or insulator?
Is CrBr3 thermodynamically stable?
How many polymorphs of CrBr3 are known?
What elements does CrBr3 contain?
Where does the data for CrBr3 come from?
How It Compares
As a stable member of the chromium halide family, this compound is distinguished by its well-documented structural diversity, having been characterized across numerous experimental and computational databases. It serves as a foundational reference point for understanding the electronic behavior of transition metal halides in solid-state 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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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