CsTe4
CsTe4 is a stable semiconducting material composed of cesium and tellurium that is recognized for its diverse structural arrangements.
About CsTe4
CsTe4 is a binary compound consisting of cesium and tellurium that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, making it a subject of interest for fundamental solid-state studies.
The compound is characterized by significant structural complexity, with numerous reported configurations identified across material databases. This structural variety highlights the intricate bonding arrangements possible between alkali metals and chalcogens, providing a platform for exploring electronic properties in complex telluride systems.
Key Properties
Cross-validated computational properties for CsTe4, 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 CsTe4. 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 CsTe4, 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. |
|---|---|---|---|---|---|
| — | — | 0.57 | 0.0000 | -0.400 | — |
| P21/c (No. 14) | monoclinic | 0.44 | 0.0000 | -3.423 | 5.03 |
| P1 (No. 1) | triclinic | — | — | — | 2.32 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.23 |
| P1 (No. 1) | triclinic | — | — | — | 2.38 |
| P-1 (No. 2) | triclinic | — | — | — | 3.96 |
| P-1 (No. 2) | triclinic | — | — | — | 5.46 |
| P-1 (No. 2) | triclinic | — | — | — | 4.37 |
| P-1 (No. 2) | triclinic | — | — | — | 5.58 |
| P-1 (No. 2) | triclinic | — | — | — | 4.84 |
| P-1 (No. 2) | triclinic | — | — | — | 3.34 |
| Pm (No. 6) | monoclinic | — | — | — | 3.02 |
Frequently Asked Questions
Common questions about CsTe4, answered from cross-validated data.
What is CsTe4?
CsTe4 is a stable semiconducting material composed of cesium and tellurium that is recognized for its diverse structural arrangements.
What is the band gap of CsTe4?
Is CsTe4 a metal, semiconductor, or insulator?
Is CsTe4 thermodynamically stable?
What is the crystal structure of CsTe4?
What is the density of CsTe4?
How many polymorphs of CsTe4 are known?
What elements does CsTe4 contain?
Where does the data for CsTe4 come from?
How It Compares
As a thermodynamically stable binary telluride, CsTe4 serves as a benchmark for understanding the structural and electronic landscape of cesium-tellurium systems, representing a well-defined point of stability in a field where many potential configurations remain under investigation.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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