RbHS
Rubidium hydrosulfide is a stable, insulating inorganic compound used primarily in chemical synthesis and materials research.
About RbHS
Rubidium hydrosulfide is a crystalline compound composed of rubidium, sulfur, and hydrogen. As a thermodynamically stable member of its chemical family, it maintains structural integrity under standard conditions and exhibits insulating electronic characteristics typical of its wide-gap nature.
This material is primarily utilized in specialized synthetic chemistry and research environments. Its stable configuration makes it a reliable subject for studying the behavior of hydrosulfide ions within alkali metal frameworks.
Key Properties
Cross-validated computational properties for RbHS, 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 RbHS. 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 RbHS, 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. |
|---|---|---|---|---|---|
| — | — | 3.25 | 0.0000 | -0.871 | — |
| P21/m (No. 11) | monoclinic | 3.10 | 0.0000 | -0.867 | — |
| P21/m (No. 11) | monoclinic | 3.08 | 0.0000 | -3.771 | 2.47 |
| P21/m (No. 11) | monoclinic | 3.24 | 0.0057 | -0.861 | — |
| — | — | 3.48 | 0.0109 | -0.860 | — |
| — | — | 3.15 | 0.0112 | -0.860 | — |
| — | — | 3.44 | 0.0171 | -0.854 | — |
| — | — | 0.00 | 0.0540 | -0.817 | — |
| Amm2 (No. 38) | orthorhombic | 1.35 | 0.2109 | -0.656 | — |
| Amm2 (No. 38) | orthorhombic | 1.42 | 0.2173 | -0.649 | — |
| Amm2 (No. 38) | orthorhombic | 1.44 | 0.2331 | -3.538 | 3.06 |
| C2 (No. 5) | monoclinic | 1.31 | 0.2647 | -3.506 | 2.87 |
Applications
Where RbHS is used.
Frequently Asked Questions
Common questions about RbHS, answered from cross-validated data.
What is RbHS?
Rubidium hydrosulfide is a stable, insulating inorganic compound used primarily in chemical synthesis and materials research.
What is RbHS used for?
What is the band gap of RbHS?
Is RbHS a metal, semiconductor, or insulator?
Is RbHS thermodynamically stable?
What is the crystal structure of RbHS?
What is the density of RbHS?
How many polymorphs of RbHS are known?
What elements does RbHS contain?
Where does the data for RbHS come from?
How It Compares
As a standalone compound in this context, rubidium hydrosulfide serves as a fundamental example of an alkali metal hydrosulfide. It demonstrates the structural stability and insulating behavior expected of simple ionic sulfides, providing a baseline for understanding the reactivity and bonding trends within this chemical group.
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)
- 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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