RbSbS2
RbSbS2 is a thermodynamically stable semiconducting ternary sulfide used in materials science research.
About RbSbS2
RbSbS2 is a ternary chalcogenide that exists as a thermodynamically stable phase, sitting directly on the convex hull. Its electronic character as a semiconductor makes it an intriguing candidate for optoelectronic and energy-related applications where stable, well-defined material properties are essential. The compound has been characterized through multiple structural studies, highlighting its reliability for further experimental investigation. As a member of the alkali metal-antimony-sulfur family, it represents a stable building block for complex inorganic synthesis. Its structural diversity, evidenced by multiple reported configurations, suggests a versatile framework for tuning physical characteristics in solid-state devices.
Key Properties
Cross-validated computational properties for RbSbS2, 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 RbSbS2. 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 RbSbS2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.95 | 0.0000 | -4.311 | 3.69 |
| P-1 (No. 2) | triclinic | 1.91 | 0.0000 | -0.837 | — |
| — | — | 1.84 | 0.0000 | -0.882 | — |
| P-1 (No. 2) | triclinic | 1.95 | 0.0036 | -0.834 | — |
| — | — | 2.05 | 0.0144 | -0.868 | — |
| — | — | 2.05 | 0.0145 | -0.868 | — |
| — | — | 1.71 | 0.0321 | -0.850 | — |
| — | — | 1.61 | 0.0599 | -0.822 | — |
| — | — | 0.95 | 0.0796 | -0.803 | — |
| — | — | 0.00 | 0.4488 | -0.434 | — |
| P1 (No. 1) | triclinic | — | — | — | 3.82 |
| P-1 (No. 2) | triclinic | — | — | — | 3.50 |
Applications
Where RbSbS2 is used.
Frequently Asked Questions
Common questions about RbSbS2, answered from cross-validated data.
What is RbSbS2?
RbSbS2 is a thermodynamically stable semiconducting ternary sulfide used in materials science research.
What is RbSbS2 used for?
What is the band gap of RbSbS2?
Is RbSbS2 a metal, semiconductor, or insulator?
Is RbSbS2 thermodynamically stable?
What is the crystal structure of RbSbS2?
What is the density of RbSbS2?
How many polymorphs of RbSbS2 are known?
What elements does RbSbS2 contain?
Where does the data for RbSbS2 come from?
How It Compares
As a stable ternary chalcogenide, RbSbS2 serves as a foundational example of how alkali metal incorporation can stabilize antimony-sulfur frameworks. Unlike more volatile or metastable variants in similar chemical families, its position on the convex hull ensures robust structural integrity, making it a reliable reference point for researchers exploring the broader landscape of semiconducting ternary sulfides.
Data sources & attribution
- 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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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