RbSi
RbSi is a thermodynamically stable semiconducting silicide used in materials research for advanced anode applications.
About RbSi
RbSi is a semiconducting compound belonging to the silicon anode materials class. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of rubidium and silicon atoms that is of significant interest for fundamental materials research. The compound is characterized by a high degree of structural diversity, with numerous reported configurations across major materials databases. This complexity underscores its potential utility in exploring advanced electrochemical systems where stable, semiconducting silicides are required for enhanced performance. Its role as a stable host lattice makes it a compelling subject for studies into ion transport and electronic behavior in silicon-based architectures.
Key Properties
Cross-validated computational properties for RbSi, aggregated across 5 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 RbSi. 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 RbSi, 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. |
|---|---|---|---|---|---|
| — | — | 1.52 | 0.0000 | -0.050 | — |
| P-43n (No. 218) | cubic | 1.35 | 0.0000 | -3.209 | 2.68 |
| — | — | 1.52 | 0.0001 | -0.050 | — |
| I41/acd (No. 142) | tetragonal | 1.63 | 0.0134 | -3.195 | 2.80 |
| — | — | 0.00 | 0.2476 | 0.198 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.7288 | 0.711 | — |
| — | — | 0.00 | 0.8142 | 0.764 | — |
| — | — | 0.00 | 0.9220 | 0.872 | — |
| — | — | 0.00 | 0.9290 | 0.879 | — |
| — | — | 0.00 | 0.9390 | 0.889 | — |
| — | — | 0.00 | 1.3237 | 1.274 | — |
| — | — | 0.00 | 1.3571 | 1.307 | — |
Applications
Where RbSi is used.
Frequently Asked Questions
Common questions about RbSi, answered from cross-validated data.
What is RbSi?
RbSi is a thermodynamically stable semiconducting silicide used in materials research for advanced anode applications.
What is RbSi used for?
What is the band gap of RbSi?
Is RbSi a metal, semiconductor, or insulator?
Is RbSi thermodynamically stable?
What is the crystal structure of RbSi?
What is the density of RbSi?
How many polymorphs of RbSi are known?
What elements does RbSi contain?
Where does the data for RbSi come from?
How It Compares
Within the silicon anode materials class.
Within the diverse landscape of silicon anode materials, RbSi distinguishes itself as a stable, semiconducting binary phase. Unlike the metallic or highly conductive silicides such as FeSi or MoSi2, RbSi offers a unique electronic profile that bridges the gap between simple elemental silicon and more complex silicide systems like BaSi2 or Mg2Si, providing a distinct structural framework for investigating alkali-metal silicon interactions.
Related Compounds
Other Silicon Anode Materials in the database.
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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