RbClO3
rubidium chlorate
Rubidium chlorate is a metastable, insulating inorganic salt composed of rubidium, chlorine, and oxygen.
About rubidium chlorate
Rubidium chlorate is a crystalline inorganic compound characterized by its insulating electronic nature. As a member of the chlorate family, it exhibits a wide band gap, reflecting its status as a non-conductive dielectric material.
Despite its metastable thermodynamic profile, the compound has been extensively documented across multiple structural databases. Its existence in several distinct configurations highlights the complex structural landscape typical of alkali metal chlorates.
Key Properties
Cross-validated computational properties for rubidium chlorate, 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 RbClO3. 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 RbClO3, 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. |
|---|---|---|---|---|---|
| — | — | 5.25 | 0.0249 | -1.040 | — |
| R3m (No. 160) | trigonal | 5.18 | 0.0545 | -0.789 | — |
| R3m (No. 160) | trigonal | 5.33 | 0.0652 | -4.679 | 2.93 |
| Cm (No. 8) | monoclinic | 0.00 | 0.3460 | -0.498 | — |
| — | — | 0.00 | 2.3860 | 1.321 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 2.67 |
| R3m (No. 160) | trigonal | — | — | — | 2.93 |
| R3m (No. 160) | trigonal | — | — | — | 3.20 |
| R3m (No. 160) | trigonal | — | — | — | 2.98 |
| R3m (No. 160) | trigonal | — | — | — | 3.08 |
Applications
Where rubidium chlorate is used.
Frequently Asked Questions
Common questions about rubidium chlorate, answered from cross-validated data.
What is RbClO3?
Rubidium chlorate is a metastable, insulating inorganic salt composed of rubidium, chlorine, and oxygen.
What is RbClO3 used for?
What is the band gap of RbClO3?
Is RbClO3 a metal, semiconductor, or insulator?
Is RbClO3 thermodynamically stable?
What is the crystal structure of RbClO3?
What is the density of RbClO3?
How many polymorphs of RbClO3 are known?
What elements does RbClO3 contain?
Where does the data for RbClO3 come from?
How It Compares
As a representative of the alkali metal chlorate group, rubidium chlorate serves as a key reference point for understanding the structural variations and stability trends inherent to this class of inorganic salts.
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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