RbGa3
RbGa3 is a stable semiconducting intermetallic compound formed from rubidium and gallium.
About RbGa3
RbGa3 is a distinct intermetallic compound composed of rubidium and gallium. It is characterized by its semiconducting electronic nature and is recognized as a thermodynamically stable phase located on the convex hull, indicating a robust structural configuration.
Due to its stability and electronic properties, this material serves as a subject of interest in solid-state chemistry. Its existence across multiple reported structures highlights its significance in understanding phase behavior within the rubidium-gallium binary system.
Key Properties
Cross-validated computational properties for RbGa3, 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 RbGa3. 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 RbGa3, 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. |
|---|---|---|---|---|---|
| — | — | 0.37 | 0.0000 | -0.160 | — |
| I-4m2 (No. 119) | tetragonal | 0.16 | 0.0000 | -2.685 | 4.93 |
| I-4m2 (No. 119) | tetragonal | 0.11 | 0.0000 | -0.239 | — |
| — | — | 0.00 | 0.1305 | -0.030 | — |
| Cm (No. 8) | monoclinic | 0.00 | 0.1636 | -0.075 | — |
| — | — | 0.00 | 0.3937 | 0.233 | — |
| — | — | 0.00 | 0.4019 | 0.242 | — |
| — | — | 0.00 | 0.4992 | 0.339 | — |
| I-4m2 (No. 119) | tetragonal | — | — | — | 4.93 |
| P-421m (No. 113) | tetragonal | — | — | — | 4.45 |
| P-421m (No. 113) | tetragonal | — | — | — | 4.96 |
| P-421m (No. 113) | tetragonal | — | — | — | 4.26 |
Applications
Where RbGa3 is used.
Frequently Asked Questions
Common questions about RbGa3, answered from cross-validated data.
What is RbGa3?
RbGa3 is a stable semiconducting intermetallic compound formed from rubidium and gallium.
What is RbGa3 used for?
What is the band gap of RbGa3?
Is RbGa3 a metal, semiconductor, or insulator?
Is RbGa3 thermodynamically stable?
What is the crystal structure of RbGa3?
What is the density of RbGa3?
How many polymorphs of RbGa3 are known?
What elements does RbGa3 contain?
Where does the data for RbGa3 come from?
How It Compares
As a thermodynamically stable semiconducting phase, RbGa3 represents a well-defined structural endpoint in its binary system. It serves as a fundamental reference point for researchers investigating the electronic and structural evolution of alkali metal-gallium compounds.
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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