CsTe
CsTe is a stable semiconducting binary compound formed from cesium and tellurium.
About CsTe
CsTe is a binary semiconducting material composed of cesium and tellurium. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
Its importance in materials research is underscored by the high volume of structural data available for this composition. This extensive characterization highlights its complex nature and potential utility in fundamental electronic studies where precise control over stoichiometry and phase stability is required.
Key Properties
Cross-validated computational properties for CsTe, 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 CsTe. 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 CsTe, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 1.00 | 0.0000 | -3.078 | 4.70 |
| — | — | 0.70 | 0.0000 | -0.890 | — |
| — | — | 1.02 | 0.0232 | -0.867 | — |
| — | — | 0.00 | 0.2414 | -0.649 | — |
| — | — | 0.00 | 0.3528 | -0.537 | — |
| — | — | 0.00 | 0.4280 | -0.462 | — |
| — | — | 0.00 | 0.4290 | -0.461 | — |
| — | — | 0.00 | 0.4938 | -0.396 | — |
| — | — | 3.11 | 0.6477 | -0.242 | — |
| P-1 (No. 2) | triclinic | — | — | — | 4.04 |
| P-1 (No. 2) | triclinic | — | — | — | 3.83 |
| P1 (No. 1) | triclinic | — | — | — | 3.35 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CsTe.
Applications
Where CsTe is used.
Frequently Asked Questions
Common questions about CsTe, answered from cross-validated data.
What is CsTe?
CsTe is a stable semiconducting binary compound formed from cesium and tellurium.
What is CsTe used for?
What is the band gap of CsTe?
Is CsTe a metal, semiconductor, or insulator?
Is CsTe thermodynamically stable?
What is the crystal structure of CsTe?
What is the density of CsTe?
How many polymorphs of CsTe are known?
How is CsTe synthesized?
What elements does CsTe contain?
Where does the data for CsTe come from?
How It Compares
As a standalone entry in this context, CsTe serves as a primary example of a stable binary chalcogenide, demonstrating the structural versatility possible when pairing an alkali metal with a heavy p-block element.
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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