RbAs
RbAs is a stable, semiconducting binary compound composed of rubidium and arsenic.
About RbAs
RbAs is a binary arsenide characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of rubidium and arsenic atoms that maintains integrity under standard conditions. The compound has garnered significant research interest, evidenced by its presence in multiple structural databases across numerous reported configurations. Its stability and electronic properties make it a subject of fundamental study for understanding alkali metal pnictide behavior. By providing a stable platform for investigating charge transport in binary systems, RbAs serves as a valuable reference point for researchers exploring the broader landscape of semiconducting pnictides.
Key Properties
Cross-validated computational properties for RbAs, 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 RbAs. 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 RbAs, 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. |
|---|---|---|---|---|---|
| — | — | 0.70 | 0.0000 | -0.433 | — |
| P212121 (No. 19) | orthorhombic | 0.68 | 0.0000 | -0.514 | — |
| P212121 (No. 19) | orthorhombic | 0.59 | 0.0000 | -3.243 | 3.80 |
| — | — | 0.00 | 0.4604 | 0.027 | — |
| — | — | 0.00 | 0.4996 | 0.066 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.5801 | 0.066 | — |
| — | — | 0.00 | 0.6384 | 0.205 | — |
| — | — | 0.00 | 0.6404 | 0.207 | — |
| — | — | 0.00 | 0.6591 | 0.226 | — |
| — | — | 0.00 | 1.0309 | 0.598 | — |
| — | — | 0.00 | 1.2514 | 0.818 | — |
| — | — | 2.61 | 1.2564 | 0.823 | — |
Applications
Where RbAs is used.
Frequently Asked Questions
Common questions about RbAs, answered from cross-validated data.
What is RbAs?
RbAs is a stable, semiconducting binary compound composed of rubidium and arsenic.
What is RbAs used for?
What is the band gap of RbAs?
Is RbAs a metal, semiconductor, or insulator?
Is RbAs thermodynamically stable?
What is the crystal structure of RbAs?
How many polymorphs of RbAs are known?
What elements does RbAs contain?
Where does the data for RbAs come from?
How It Compares
As a thermodynamically stable binary compound, RbAs occupies a distinct position in the landscape of alkali metal arsenides, serving as a primary example of stable stoichiometry within this chemical class.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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