RbS
RbS is a thermodynamically stable, semiconducting binary compound consisting of rubidium and sulfur.
About RbS
RbS is a binary inorganic compound composed of rubidium and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, making it a subject of significant interest for structural characterization and fundamental materials science studies. Its electronic character as a semiconductor suggests potential utility in specialized electronic or optoelectronic applications where specific band structures are required. With extensive data available across multiple databases, it serves as a well-documented reference point for researchers investigating alkali metal chalcogenides. The material's stability ensures that it maintains its structural integrity under standard conditions, facilitating its use in experimental setups and theoretical modeling.
Key Properties
Cross-validated computational properties for RbS, 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 RbS. 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 RbS, 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. |
|---|---|---|---|---|---|
| — | — | 1.77 | 0.0000 | -1.062 | — |
| P-62m (No. 189) | hexagonal | 1.74 | 0.0000 | -1.061 | — |
| P-62m (No. 189) | hexagonal | 1.58 | 0.0000 | -3.718 | 2.80 |
| Immm (No. 71) | orthorhombic | 1.71 | 0.0019 | -3.717 | 2.62 |
| — | — | 1.82 | 0.0038 | -1.058 | — |
| Immm (No. 71) | orthorhombic | 1.65 | 0.0201 | -1.041 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1382 | -0.923 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1527 | -0.908 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1758 | -3.543 | 2.97 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3983 | -0.663 | — |
| P21/m (No. 11) | monoclinic | 0.00 | 0.4088 | -3.310 | 2.86 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.4354 | -3.283 | 3.35 |
Applications
Where RbS is used.
Frequently Asked Questions
Common questions about RbS, answered from cross-validated data.
What is RbS?
RbS is a thermodynamically stable, semiconducting binary compound consisting of rubidium and sulfur.
What is RbS used for?
What is the band gap of RbS?
Is RbS a metal, semiconductor, or insulator?
Is RbS thermodynamically stable?
What is the crystal structure of RbS?
How many polymorphs of RbS are known?
What elements does RbS contain?
Where does the data for RbS come from?
How It Compares
As a distinct binary compound, RbS serves as a primary example of alkali metal sulfide behavior. Without direct structural siblings in this specific dataset, it acts as a foundational benchmark for understanding the bonding and electronic trends inherent to rubidium-based chalcogenides, providing critical insight into how these elements interact to form stable, semiconducting crystalline architectures.
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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