Rb2MnBr4
This compound is a crystalline inorganic material belonging to the halide family. It is primarily utilized in academic research settings to study magnetic properties and structural phase transitions in low-dimensional systems.
BrMnRb
Overview
Key Properties
Cross-validated computational properties for Rb2MnBr4, 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.
0.83 eV
Range across DFT structures
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.
0.017 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Rb2MnBr4, 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/mmm (No. 139) | tetragonal | 0.83 | 0.0170 | -4.187 | 3.73 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.61 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.69 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.72 |
| I4/mmm (No. 139) | — | — | — | — | — |
Uses
Applications
Where Rb2MnBr4 is used.
Solid-state physics researchMagnetic material studiesCrystallographic analysis
Reference
Frequently Asked Questions
Common questions about Rb2MnBr4, answered from cross-validated data.
What is Rb2MnBr4?
This compound is a crystalline inorganic material belonging to the halide family. It is primarily utilized in academic research settings to study magnetic properties and structural phase transitions in low-dimensional systems.
More questions
What is Rb2MnBr4 used for?
Rb2MnBr4 is used in solid-state physics research, magnetic material studies, and crystallographic analysis.
What is the band gap of Rb2MnBr4?
Rb2MnBr4 has a DFT-computed band gap of 0.83 eV across 5 reported structures.
Is Rb2MnBr4 a metal, semiconductor, or insulator?
With a band gap up to 0.83 eV it is a semiconductor.
Is Rb2MnBr4 thermodynamically stable?
Rb2MnBr4 has a lowest energy above hull of 0.017 eV/atom (near hull (likely stable)).
What is the crystal structure of Rb2MnBr4?
The lowest-energy reported polymorph of Rb2MnBr4 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Rb2MnBr4?
The computed density of the ground-state structure of Rb2MnBr4 is 3.73 g/cm³.
How many polymorphs of Rb2MnBr4 are known?
5 structures of Rb2MnBr4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Rb2MnBr4 contain?
Rb2MnBr4 contains Br, Mn, and Rb (3 elements).
Where does the data for Rb2MnBr4 come from?
Rb2MnBr4 data is cross-referenced from materials_project, mpaloe, jarvis.
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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