Cs2Te3
Cs2Te3 is a thermodynamically stable semiconducting compound composed of cesium and tellurium.
About Cs2Te3
Cs2Te3 is a binary telluride compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of cesium and tellurium atoms. This stability suggests a well-defined crystalline framework that is favorable for fundamental materials research.
Given its electronic nature, this compound is of interest for studies involving chalcogenide-based semiconductors. Its existence as a distinct, stable phase allows researchers to investigate the interplay between alkali metal cations and tellurium networks, providing insights into the broader chemistry of binary tellurides.
Key Properties
Cross-validated computational properties for Cs2Te3, 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 Cs2Te3. 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 Cs2Te3, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.53 | 0.0000 | -3.240 | 4.58 |
| — | — | — | 0.0000 | -0.758 | — |
| — | — | 0.56 | 0.0023 | -0.755 | — |
| P-1 (No. 2) | triclinic | — | — | — | 4.59 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.53 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.60 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 4.25 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.59 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 3.94 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Cs2Te3.
Applications
Where Cs2Te3 is used.
Frequently Asked Questions
Common questions about Cs2Te3, answered from cross-validated data.
What is Cs2Te3?
Cs2Te3 is a thermodynamically stable semiconducting compound composed of cesium and tellurium.
What is Cs2Te3 used for?
What is the band gap of Cs2Te3?
Is Cs2Te3 a metal, semiconductor, or insulator?
Is Cs2Te3 thermodynamically stable?
What is the crystal structure of Cs2Te3?
What is the density of Cs2Te3?
How many polymorphs of Cs2Te3 are known?
How is Cs2Te3 synthesized?
What elements does Cs2Te3 contain?
Where does the data for Cs2Te3 come from?
How It Compares
As a unique binary telluride, Cs2Te3 serves as a foundational example of stable stoichiometry within the cesium-tellurium system. Unlike more complex or metastable phases that may require specific synthesis conditions, this compound occupies a stable position, acting as a reliable reference point for understanding the electronic and structural trends of alkali metal tellurides.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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