RbH
rubidium hydride
Rubidium hydride is a stable, semiconducting binary compound formed from rubidium and hydrogen.
About rubidium hydride
Rubidium hydride is a binary compound consisting of rubidium and hydrogen. As a thermodynamically stable material that sits on the convex hull, it represents a robust phase within its chemical system, characterized by its distinct semiconducting electronic nature.
Its structural complexity is evidenced by a significant number of reported configurations across major databases. This diversity in structural arrangements makes it a subject of interest for researchers investigating the fundamental behavior of alkali metal hydrides in various physical environments.
Key Properties
Cross-validated computational properties for rubidium hydride, 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 RbH. 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 RbH, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 2.97 | 0.0000 | -0.289 | — |
| — | — | 2.95 | 0.0000 | -0.159 | — |
| Fm-3m (No. 225) | cubic | 2.92 | 0.0000 | -2.423 | 2.65 |
| — | — | 3.09 | 0.0012 | -0.158 | — |
| — | — | 3.01 | 0.0014 | -0.157 | — |
| P-6m2 (No. 187) | hexagonal | 3.03 | 0.0289 | -0.260 | — |
| — | — | 0.00 | 0.0537 | -0.105 | — |
| — | — | 3.50 | 0.0624 | -0.096 | — |
| — | — | 2.55 | 0.0690 | -0.090 | — |
| — | — | 2.54 | 0.1544 | -0.004 | — |
| Cmme (No. 67) | orthorhombic | — | — | — | 2.40 |
| Cmme (No. 67) | orthorhombic | — | — | — | 2.67 |
Applications
Where rubidium hydride is used.
Frequently Asked Questions
Common questions about rubidium hydride, answered from cross-validated data.
What is RbH?
Rubidium hydride is a stable, semiconducting binary compound formed from rubidium and hydrogen.
What is RbH used for?
What is the band gap of RbH?
Is RbH a metal, semiconductor, or insulator?
Is RbH thermodynamically stable?
What is the crystal structure of RbH?
How many polymorphs of RbH are known?
What elements does RbH contain?
Where does the data for RbH come from?
How It Compares
As a member of the alkali metal hydride family, rubidium hydride serves as a critical reference point for understanding the periodic trends in stability and electronic structure within this group of binary compounds.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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