Rb3InS3
Rb3InS3 is a thermodynamically stable semiconducting compound composed of rubidium, indium, and sulfur.
About Rb3InS3
Rb3InS3 is a complex ternary sulfide composed of rubidium, indium, and sulfur. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural arrangement within its chemical system, supported by multiple documented structural variations across scientific databases.
This material exhibits semiconducting electronic character, making it an intriguing candidate for research into optoelectronic and electronic applications. Its stability and distinct composition allow it to serve as a foundational material for exploring new pathways in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for Rb3InS3, 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 Rb3InS3. 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 Rb3InS3, 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. |
|---|---|---|---|---|---|
| — | — | 2.40 | 0.0000 | -1.181 | — |
| C2/m (No. 12) | monoclinic | 2.30 | 0.0000 | -1.179 | — |
| C2/m (No. 12) | monoclinic | 2.27 | 0.0000 | -3.844 | 3.24 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.22 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.15 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.23 |
Applications
Where Rb3InS3 is used.
Frequently Asked Questions
Common questions about Rb3InS3, answered from cross-validated data.
What is Rb3InS3?
Rb3InS3 is a thermodynamically stable semiconducting compound composed of rubidium, indium, and sulfur.
What is Rb3InS3 used for?
What is the band gap of Rb3InS3?
Is Rb3InS3 a metal, semiconductor, or insulator?
Is Rb3InS3 thermodynamically stable?
What is the crystal structure of Rb3InS3?
How many polymorphs of Rb3InS3 are known?
What elements does Rb3InS3 contain?
Where does the data for Rb3InS3 come from?
How It Compares
As a unique ternary sulfide, Rb3InS3 serves as a key representative of its chemical family, providing a stable structural benchmark for researchers investigating the interplay between alkali metals and indium-based chalcogenides.
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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