RbMnBr3
This compound is a crystalline inorganic material belonging to the halide perovskite family. It is primarily studied by researchers for its unique magnetic properties and structural phase transitions in solid-state physics.
BrMnRb
Overview
Key Properties
Cross-validated computational properties for RbMnBr3, 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.
1.24 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for RbMnBr3, 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. |
|---|---|---|---|---|---|
| P63cm (No. 185) | hexagonal | 1.24 | 0.0000 | -4.544 | 3.96 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0017 | -4.542 | 3.99 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63cm (No. 185) | Hexagonal | — | — | — | 3.80 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.88 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.81 |
| P63cm (No. 185) | Hexagonal | — | — | — | 3.89 |
| P63cm (No. 185) | Hexagonal | — | — | — | 3.88 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.90 |
| Pm-3m (No. 221) | — | — | — | — | — |
Uses
Applications
Where RbMnBr3 is used.
Condensed matter physics researchMagnetic material studiesCrystallographic analysis
Reference
Frequently Asked Questions
Common questions about RbMnBr3, answered from cross-validated data.
What is RbMnBr3?
This compound is a crystalline inorganic material belonging to the halide perovskite family. It is primarily studied by researchers for its unique magnetic properties and structural phase transitions in solid-state physics.
More questions
What is RbMnBr3 used for?
RbMnBr3 is used in condensed matter physics research, magnetic material studies, and crystallographic analysis.
What is the band gap of RbMnBr3?
RbMnBr3 has a DFT-computed band gap of 1.24 eV across 10 reported structures.
Is RbMnBr3 a metal, semiconductor, or insulator?
With a band gap up to 1.24 eV it is a semiconductor.
Is RbMnBr3 thermodynamically stable?
Yes — RbMnBr3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RbMnBr3?
The lowest-energy reported polymorph of RbMnBr3 is hexagonal symmetry, space group P63cm (No. 185).
What is the density of RbMnBr3?
The computed density of the ground-state structure of RbMnBr3 is 3.96 g/cm³.
How many polymorphs of RbMnBr3 are known?
10 structures of RbMnBr3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does RbMnBr3 contain?
RbMnBr3 contains Br, Mn, and Rb (3 elements).
Where does the data for RbMnBr3 come from?
RbMnBr3 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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