Rb3Sb
Rb3Sb is a stable semiconducting material formed from rubidium and antimony that is frequently studied for its structural properties.
About Rb3Sb
Rb3Sb is a semiconducting compound composed of rubidium and antimony. As a thermodynamically stable material residing on the convex hull, it represents a robust phase within its chemical system, making it a significant subject for structural investigation.
With numerous reported structures across multiple databases, this compound serves as a key reference point for researchers studying the interplay between alkali metals and pnictogens. Its stable electronic configuration provides a foundation for understanding the fundamental behavior of similar semiconducting materials.
Key Properties
Cross-validated computational properties for Rb3Sb, aggregated across 4 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 Rb3Sb. 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 Rb3Sb, 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 | 0.71 | 0.0000 | -0.461 | — |
| — | — | 0.23 | 0.0000 | -0.365 | — |
| P63/mmc (No. 194) | hexagonal | 0.09 | 0.0000 | -2.163 | 3.17 |
| P63/mmc (No. 194) | hexagonal | 0.13 | 0.0005 | -0.460 | — |
| Fm-3m (No. 225) | cubic | 0.43 | 0.0135 | -2.150 | 3.61 |
| — | — | 0.61 | 0.0327 | -0.332 | — |
| — | — | 0.61 | 0.0328 | -0.332 | — |
| — | — | 0.00 | 0.0947 | -0.270 | — |
| — | — | 0.00 | 0.1681 | -0.197 | — |
| Fm-3m (No. 225) | cubic | — | — | — | 3.55 |
| P63/mmc (No. 194) | hexagonal | — | — | — | 3.08 |
| Amm2 (No. 38) | orthorhombic | — | — | — | 2.54 |
Applications
Where Rb3Sb is used.
Frequently Asked Questions
Common questions about Rb3Sb, answered from cross-validated data.
What is Rb3Sb?
Rb3Sb is a stable semiconducting material formed from rubidium and antimony that is frequently studied for its structural properties.
What is Rb3Sb used for?
What is the band gap of Rb3Sb?
Is Rb3Sb a metal, semiconductor, or insulator?
Is Rb3Sb thermodynamically stable?
What is the crystal structure of Rb3Sb?
What is the density of Rb3Sb?
How many polymorphs of Rb3Sb are known?
What elements does Rb3Sb contain?
Where does the data for Rb3Sb come from?
How It Compares
As a stable binary compound, Rb3Sb serves as a primary benchmark for understanding the structural and electronic landscape of alkali-antimonide systems. It occupies a central role in the study of these materials, offering a well-defined crystalline profile that informs the broader research into this class of semiconductors.
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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