Rb2CO3
Rubidium carbonate · Carbonic acid, rubidium salt
Rubidium carbonate is a stable, insulating salt widely used as a chemical reagent and a precursor for specialized glass and electronic materials.
About Rubidium carbonate
Rubidium carbonate is a thermodynamically stable inorganic salt that functions as a wide-band-gap insulator. Its chemical structure allows it to serve as a versatile reagent in various synthetic pathways and industrial processes.
Because of its robust stability, this compound is frequently utilized in the production of specialty optical glasses and as a precursor for other rubidium-based materials. It remains a significant subject of study for researchers exploring high-performance dielectric components.
Key Properties
Cross-validated computational properties for Rubidium carbonate, 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 Rb2CO3. 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 Rb2CO3, 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 | 3.93 | 0.0000 | -1.881 | — |
| — | — | 3.57 | 0.0000 | -1.949 | — |
| P21/c (No. 14) | monoclinic | 3.29 | 0.0000 | -6.424 | 3.56 |
| Pnma (No. 62) | orthorhombic | 4.11 | 0.0033 | -1.878 | — |
| — | — | 3.95 | 0.0039 | -1.945 | — |
| Pnma (No. 62) | orthorhombic | 3.26 | 0.0052 | -6.419 | 3.48 |
| — | — | 4.07 | 0.0119 | -1.937 | — |
| — | — | 1.11 | 0.0174 | -1.932 | — |
| — | — | 0.99 | 0.0822 | -1.867 | — |
| — | — | 3.73 | 0.0882 | -1.861 | — |
| — | — | 0.99 | 0.0882 | -1.861 | — |
| — | — | 3.25 | 0.0914 | -1.858 | — |
Applications
Where Rubidium carbonate is used.
Frequently Asked Questions
Common questions about Rubidium carbonate, answered from cross-validated data.
What is Rb2CO3?
Rubidium carbonate is a stable, insulating salt widely used as a chemical reagent and a precursor for specialized glass and electronic materials.
What is Rb2CO3 used for?
What is the band gap of Rb2CO3?
Is Rb2CO3 a metal, semiconductor, or insulator?
Is Rb2CO3 thermodynamically stable?
What is the crystal structure of Rb2CO3?
How many polymorphs of Rb2CO3 are known?
What elements does Rb2CO3 contain?
Where does the data for Rb2CO3 come from?
How It Compares
As a primary rubidium-based carbonate, this material serves as a fundamental building block for chemical synthesis and material design, providing a stable platform for incorporating rubidium into complex solid-state systems.
Data sources & attribution
- 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)
- 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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