Rb2Te5
Rb2Te5 is a semiconducting telluride compound that exists in a metastable state, serving as a subject of interest for structural and synthetic materials research.
About Rb2Te5
Rb2Te5 is a complex telluride compound characterized by its semiconducting electronic behavior. As a member of the alkali metal-telluride family, it represents a unique structural arrangement that has been documented across multiple materials databases, highlighting its significance in synthetic chemistry and fundamental solid-state studies.
Despite its existence in various structural forms, the compound is identified as being thermodynamically above the hull. This metastability suggests that while it can be synthesized and studied under specific laboratory conditions, it occupies a distinct energetic position relative to its elemental constituents.
Key Properties
Cross-validated computational properties for Rb2Te5, aggregated across 5 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 Rb2Te5. 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 Rb2Te5, 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. |
|---|---|---|---|---|---|
| — | — | 0.34 | 0.0000 | -0.543 | — |
| C2/m (No. 12) | monoclinic | 0.24 | 0.0000 | -3.366 | 4.77 |
| C2/m (No. 12) | monoclinic | 0.22 | 0.0000 | -0.585 | — |
| C2/m (No. 12) | monoclinic | 0.25 | — | -3.063 | 4.70 |
| P-1 (No. 2) | triclinic | — | — | — | 2.22 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.77 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.68 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.42 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.62 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.76 |
Applications
Where Rb2Te5 is used.
Frequently Asked Questions
Common questions about Rb2Te5, answered from cross-validated data.
What is Rb2Te5?
Rb2Te5 is a semiconducting telluride compound that exists in a metastable state, serving as a subject of interest for structural and synthetic materials research.
What is Rb2Te5 used for?
What is the band gap of Rb2Te5?
Is Rb2Te5 a metal, semiconductor, or insulator?
Is Rb2Te5 thermodynamically stable?
What is the crystal structure of Rb2Te5?
What is the density of Rb2Te5?
How many polymorphs of Rb2Te5 are known?
What elements does Rb2Te5 contain?
Where does the data for Rb2Te5 come from?
How It Compares
As a specialized telluride phase, Rb2Te5 serves as an important case study in the structural diversity of alkali metal-chalcogenide systems. It demonstrates the complex interplay between stoichiometry and stability, providing researchers with a nuanced example of a metastable semiconducting phase that expands our understanding of the broader telluride chemical space.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (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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