RbInBr3
RbInBr3 is a metastable semiconducting inorganic compound composed of rubidium, indium, and bromine.
About RbInBr3
RbInBr3 is a complex halide material characterized by its semiconducting electronic nature. As a metastable compound, it represents a delicate balance of chemical constituents that offers unique structural possibilities for solid-state research. Its existence across multiple reported structures highlights its significance in exploring non-equilibrium phases in inorganic chemistry. By investigating the bonding and arrangement of rubidium, indium, and bromine, researchers can better understand the pathways toward stabilizing such complex halide frameworks for future technological integration. This compound serves as a valuable case study for materials scientists focused on the synthesis and characterization of metastable semiconductors.
Key Properties
Cross-validated computational properties for RbInBr3, 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 RbInBr3. 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 RbInBr3, 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. |
|---|---|---|---|---|---|
| — | — | 2.54 | 0.0000 | -1.420 | — |
| Fm-3m (No. 225) | cubic | 0.45 | 0.0000 | -1.240 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0101 | -1.230 | — |
| R3c (No. 161) | trigonal | 0.00 | 0.0202 | -1.219 | — |
| Fm-3m (No. 225) | cubic | 1.33 | 0.0252 | -3.229 | 3.89 |
| R3c (No. 161) | trigonal | 0.00 | 0.0349 | -3.219 | 3.91 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0413 | -3.213 | 3.87 |
| — | — | 0.00 | 0.0570 | -1.363 | — |
| Cm (No. 8) | monoclinic | — | — | — | 4.02 |
| Cm (No. 8) | monoclinic | — | — | — | 3.87 |
| Fm-3m (No. 225) | cubic | — | — | — | 3.85 |
| Cm (No. 8) | monoclinic | — | — | — | 3.99 |
Applications
Where RbInBr3 is used.
Frequently Asked Questions
Common questions about RbInBr3, answered from cross-validated data.
What is RbInBr3?
RbInBr3 is a metastable semiconducting inorganic compound composed of rubidium, indium, and bromine.
What is RbInBr3 used for?
What is the band gap of RbInBr3?
Is RbInBr3 a metal, semiconductor, or insulator?
Is RbInBr3 thermodynamically stable?
What is the crystal structure of RbInBr3?
How many polymorphs of RbInBr3 are known?
What elements does RbInBr3 contain?
Where does the data for RbInBr3 come from?
How It Compares
As a unique inorganic halide, RbInBr3 occupies a specialized niche within the broader landscape of semiconducting materials. While it lacks direct structural siblings in this context, its metastable nature distinguishes it from more common, highly stable crystalline phases, positioning it as an intriguing subject for studies on phase transitions and structural evolution in complex ternary systems.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze RbInBr3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →