RbAu
RbAu is a stable, semiconducting intermetallic compound composed of rubidium and gold.
About RbAu
RbAu is a thermodynamically stable intermetallic compound that occupies a unique position on the convex hull. Its electronic character is defined as semiconducting, distinguishing it from typical metallic alloys and making it a subject of significant interest in solid-state chemistry.
Due to its structural complexity, this material has been extensively characterized across multiple databases. It serves as a critical model for understanding the interactions between alkali metals and noble metals in the solid state.
Key Properties
Cross-validated computational properties for RbAu, 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 RbAu. 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 RbAu, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.50 | 0.0000 | -0.412 | — |
| Pm-3m (No. 221) | cubic | 0.37 | 0.0000 | -2.401 | 6.78 |
| — | — | 0.39 | 0.0042 | -0.277 | — |
| — | — | 2.28 | 0.0154 | -0.266 | — |
| — | — | 0.39 | 0.0290 | -0.252 | — |
| — | — | 2.03 | 0.0338 | -0.247 | — |
| — | — | 2.02 | 0.0556 | -0.226 | — |
| P-6m2 (No. 187) | hexagonal | 2.40 | 0.0702 | -0.341 | — |
| — | — | 3.12 | 0.1244 | -0.157 | — |
| — | — | 0.00 | 0.3049 | 0.024 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 4.82 |
| P1 (No. 1) | triclinic | — | — | — | 4.24 |
Applications
Where RbAu is used.
Frequently Asked Questions
Common questions about RbAu, answered from cross-validated data.
What is RbAu?
RbAu is a stable, semiconducting intermetallic compound composed of rubidium and gold.
What is RbAu used for?
What is the band gap of RbAu?
Is RbAu a metal, semiconductor, or insulator?
Is RbAu thermodynamically stable?
What is the crystal structure of RbAu?
How many polymorphs of RbAu are known?
What elements does RbAu contain?
Where does the data for RbAu come from?
How It Compares
As a thermodynamically stable semiconductor, RbAu represents a distinct case within the landscape of binary intermetallic phases, providing a benchmark for stability and electronic behavior in systems where gold and rubidium are combined.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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