RbBi
RbBi is a thermodynamically stable semiconducting intermetallic compound composed of rubidium and bismuth.
About RbBi
RbBi is a thermodynamically stable intermetallic compound that occupies a position on the convex hull, indicating significant structural robustness. As a semiconducting material, it represents an interesting case study for researchers investigating the electronic properties of alkali metal-bismuth systems.
With a high degree of data richness and numerous reported structures, this compound serves as a vital reference point for computational and experimental studies. Its stability and predictable electronic behavior make it a subject of interest for those exploring the fundamental physics of binary bismuth-based semiconductors.
Key Properties
Cross-validated computational properties for RbBi, 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 RbBi. 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 RbBi, 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. |
|---|---|---|---|---|---|
| — | — | 0.48 | 0.0000 | -0.360 | — |
| P21/c (No. 14) | monoclinic | 0.41 | 0.0000 | -0.446 | — |
| P21/c (No. 14) | monoclinic | 0.38 | 0.0000 | -2.777 | 5.34 |
| — | — | 0.00 | 0.0086 | -0.351 | — |
| — | — | 0.00 | 0.1104 | -0.250 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.2112 | -0.235 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.2233 | -0.223 | — |
| — | — | 0.00 | 0.2583 | -0.102 | — |
| — | — | 0.00 | 0.2594 | -0.101 | — |
| — | — | 0.00 | 0.2797 | -0.080 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.2856 | -2.491 | 5.77 |
| — | — | 0.00 | 0.3258 | -0.034 | — |
Applications
Where RbBi is used.
Frequently Asked Questions
Common questions about RbBi, answered from cross-validated data.
What is RbBi?
RbBi is a thermodynamically stable semiconducting intermetallic compound composed of rubidium and bismuth.
What is RbBi used for?
What is the band gap of RbBi?
Is RbBi a metal, semiconductor, or insulator?
Is RbBi thermodynamically stable?
How many polymorphs of RbBi are known?
What elements does RbBi contain?
Where does the data for RbBi come from?
How It Compares
As a standalone entry in this context, RbBi serves as a representative example of a stable, semiconducting binary intermetallic. Its position on the convex hull highlights the favorable energetic landscape of this specific stoichiometry, providing a benchmark for understanding how alkali metals integrate with heavy p-block elements to form stable semiconducting phases.
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.
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