HO4RbS
rubidium bisulfate · rubidium hydrogen sulfate
Rubidium bisulfate is a stable, insulating salt used primarily as a chemical precursor and research material.
About rubidium bisulfate
Rubidium bisulfate is a thermodynamically stable inorganic compound characterized by its wide-gap insulating electronic nature. As a salt composed of rubidium, sulfur, oxygen, and hydrogen, it maintains a robust crystalline structure that has been documented across multiple experimental configurations. Its inherent stability makes it a reliable subject for fundamental studies in solid-state chemistry and materials research. The material is primarily utilized in laboratory settings for the synthesis of complex rubidium-based salts and as a precursor in specialized chemical investigations where high-purity alkali hydrogen sulfates are required. Its insulating properties and structural integrity allow it to serve as a consistent reference point for understanding the behavior of alkali metal sulfates in various thermodynamic conditions.
Key Properties
Cross-validated computational properties for rubidium bisulfate, 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 HO4RbS. 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 HO4RbS, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.53 | 0.0000 | -6.000 | 2.71 |
| Pc (No. 7) | monoclinic | 5.50 | 0.0001 | -5.999 | 2.72 |
| Pc (No. 7) | monoclinic | 4.67 | 0.0279 | -5.972 | 2.61 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.47 |
| No. 0 | unknown | — | — | — | 0.72 |
| No. 0 | unknown | — | — | — | 0.72 |
| No. 0 | unknown | — | — | — | 0.73 |
| No. 0 | unknown | — | — | — | 0.78 |
| No. 0 | unknown | — | — | — | 1.47 |
| No. 0 | unknown | — | — | — | 0.72 |
Applications
Where rubidium bisulfate is used.
Frequently Asked Questions
Common questions about rubidium bisulfate, answered from cross-validated data.
What is HO4RbS?
Rubidium bisulfate is a stable, insulating salt used primarily as a chemical precursor and research material.
What is HO4RbS used for?
What is the band gap of HO4RbS?
Is HO4RbS a metal, semiconductor, or insulator?
Is HO4RbS thermodynamically stable?
What is the crystal structure of HO4RbS?
What is the density of HO4RbS?
How many polymorphs of HO4RbS are known?
What elements does HO4RbS contain?
Where does the data for HO4RbS come from?
How It Compares
As a standalone representative of its chemical class, rubidium bisulfate functions as a key example of a stable alkali hydrogen sulfate, providing a benchmark for the structural and electronic behavior expected in this group of materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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