SmBr3
Samarium(III) bromide · Samarium tribromide
Samarium(III) bromide is a stable, insulating rare-earth halide used primarily in chemical research and material synthesis.
About Samarium(III) bromide
Samarium(III) bromide is a thermodynamically stable inorganic halide that functions as a wide-gap insulator. Its electronic structure and chemical stability make it a significant subject of study within the broader family of rare-earth halides.
Due to its structural versatility, this compound has been documented in multiple configurations across various databases. Its role as a stable insulating material positions it as a useful precursor for specialized chemical syntheses and advanced material research.
Key Properties
Cross-validated computational properties for Samarium(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 SmBr3. 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 SmBr3, 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. |
|---|---|---|---|---|---|
| — | — | 3.94 | 0.0000 | -2.139 | — |
| Cmcm (No. 63) | orthorhombic | 3.02 | 0.0000 | -4.703 | 5.29 |
| Cmcm (No. 63) | orthorhombic | 2.69 | 0.0000 | -1.969 | — |
| — | — | 3.77 | 0.0052 | -2.134 | — |
| — | — | 2.87 | 0.0176 | -2.122 | — |
| — | — | 0.00 | 0.0323 | -2.107 | — |
| — | — | 3.47 | 0.0325 | -2.107 | — |
| — | — | 3.72 | 0.0356 | -2.104 | — |
| — | — | 3.63 | 0.0525 | -2.087 | — |
| — | — | 3.22 | 0.0853 | -2.054 | — |
| — | — | 1.80 | 0.2523 | -1.887 | — |
| — | — | 1.69 | 0.5341 | -1.605 | — |
Applications
Where Samarium(III) bromide is used.
Frequently Asked Questions
Common questions about Samarium(III) bromide, answered from cross-validated data.
What is SmBr3?
Samarium(III) bromide is a stable, insulating rare-earth halide used primarily in chemical research and material synthesis.
What is SmBr3 used for?
What is the band gap of SmBr3?
Is SmBr3 a metal, semiconductor, or insulator?
Is SmBr3 thermodynamically stable?
What is the crystal structure of SmBr3?
What is the density of SmBr3?
How many polymorphs of SmBr3 are known?
What elements does SmBr3 contain?
Where does the data for SmBr3 come from?
How It Compares
As a member of the rare-earth halide family, SmBr3 maintains a high degree of thermodynamic stability, reflecting the robust nature of its crystal lattice. It serves as a representative example of how trivalent lanthanide bromides behave as insulating materials in solid-state applications.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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