Rb3MnBr5
Rb3MnBr5 is a stable, semiconducting bromide compound containing rubidium and manganese.
About Rb3MnBr5
Rb3MnBr5 is a ternary bromide compound that exhibits semiconducting electronic properties. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement of rubidium, manganese, and bromine atoms.
This material is of interest for its stable configuration and electronic behavior, which makes it a subject of investigation for researchers exploring complex halide systems. Its existence across multiple structural databases highlights its significance as a distinct member of the broader family of manganese-based halides.
Key Properties
Cross-validated computational properties for Rb3MnBr5, 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.
Reported Structures
Lowest-energy structures reported for Rb3MnBr5, 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. |
|---|---|---|---|---|---|
| I4/mcm (No. 140) | tetragonal | 2.68 | 0.0000 | -4.015 | 3.62 |
| I4/mcm (No. 140) | Tetragonal | — | — | — | 3.44 |
| I4/mcm (No. 140) | Tetragonal | — | — | — | 3.54 |
| I4/mcm (No. 140) | Tetragonal | — | — | — | 3.49 |
| I4/mcm (No. 140) | — | — | — | — | — |
Applications
Where Rb3MnBr5 is used.
Frequently Asked Questions
Common questions about Rb3MnBr5, answered from cross-validated data.
What is Rb3MnBr5?
Rb3MnBr5 is a stable, semiconducting bromide compound containing rubidium and manganese.
What is Rb3MnBr5 used for?
What is the band gap of Rb3MnBr5?
Is Rb3MnBr5 a metal, semiconductor, or insulator?
Is Rb3MnBr5 thermodynamically stable?
What is the crystal structure of Rb3MnBr5?
What is the density of Rb3MnBr5?
How many polymorphs of Rb3MnBr5 are known?
What elements does Rb3MnBr5 contain?
Where does the data for Rb3MnBr5 come from?
How It Compares
As a stable ternary bromide, Rb3MnBr5 serves as a foundational example of manganese-containing halide semiconductors, providing a benchmark for structural and electronic studies within this chemical space.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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