MnBr2
manganese(II) bromide · manganous bromide
Manganese(II) bromide is a stable, semiconducting halide compound used primarily as a chemical precursor and in materials science research.
About manganese(II) bromide
Manganese(II) bromide is a thermodynamically stable inorganic halide that exhibits semiconducting electronic behavior. As a well-characterized material with a high degree of structural diversity, it serves as a fundamental building block in various chemical processes and materials research. Its stability on the convex hull makes it a reliable subject for studying transition metal halide interactions. The compound is frequently utilized in laboratory settings where manganese-based precursors are required for synthesis. Its electronic properties are of particular interest for researchers exploring the intersection of magnetism and semiconducting behavior in halide-based systems.
Key Properties
Cross-validated computational properties for manganese(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 MnBr2. 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 MnBr2, 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 | 1.60 | 0.0000 | -5.314 | 4.24 |
| — | — | 1.58 | 0.0000 | -1.025 | — |
| P-3m1 (No. 164) | trigonal | 1.42 | 0.0000 | -0.758 | — |
| R-3m (No. 166) | trigonal | 1.53 | 0.0001 | -5.314 | 4.15 |
| Fd-3m (No. 227) | cubic | 1.34 | 0.0014 | -0.756 | — |
| Fd-3m (No. 227) | cubic | 1.53 | 0.0019 | -5.312 | 4.33 |
| — | — | 1.64 | 0.0032 | -1.022 | — |
| — | — | 1.56 | 0.0035 | -1.022 | — |
| — | — | 1.56 | 0.0039 | -1.022 | — |
| — | — | 1.55 | 0.0042 | -1.021 | — |
| — | — | 1.72 | 0.0046 | -1.021 | — |
| — | — | 1.75 | 0.0057 | -1.020 | — |
Applications
Where manganese(II) bromide is used.
Frequently Asked Questions
Common questions about manganese(II) bromide, answered from cross-validated data.
What is MnBr2?
Manganese(II) bromide is a stable, semiconducting halide compound used primarily as a chemical precursor and in materials science research.
What is MnBr2 used for?
What is the band gap of MnBr2?
Is MnBr2 a metal, semiconductor, or insulator?
Is MnBr2 thermodynamically stable?
What is the crystal structure of MnBr2?
What is the density of MnBr2?
How many polymorphs of MnBr2 are known?
What elements does MnBr2 contain?
Where does the data for MnBr2 come from?
How It Compares
As a stable transition metal halide, manganese(II) bromide represents a key reference point for understanding the structural and electronic trends within the broader family of manganese-halogen compounds.
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)
- 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)
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