Cd2TeSe
Cd2TeSe is a semiconducting cadmium-based ternary chalcogenide that is considered a likely candidate for laboratory synthesis.
About Cd2TeSe
Cd2TeSe is a semiconducting ternary chalcogenide that bridges the properties of cadmium-based binary systems. Its electronic character makes it an interesting candidate for research into light-sensitive materials and thin-film technologies.
Because it sits near the thermodynamic hull, the compound is considered a viable target for experimental synthesis. The existence of multiple reported structural variations suggests a complex phase space that warrants further investigation for potential device integration.
Key Properties
Cross-validated computational properties for Cd2TeSe, 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 Cd2TeSe. 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 Cd2TeSe, 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. |
|---|---|---|---|---|---|
| P-4m2 (No. 115) | tetragonal | 0.28 | 0.0065 | -0.497 | — |
| — | — | 0.68 | 0.0135 | -0.537 | — |
| — | — | 0.39 | 0.0198 | -0.531 | — |
| P-4m2 (No. 115) | tetragonal | 0.42 | 0.1178 | -2.766 | 5.59 |
| R3m (No. 160) | trigonal | 0.19 | 0.1265 | -2.758 | 5.58 |
| P3m1 (No. 156) | trigonal | 0.20 | 0.1265 | -2.757 | 5.59 |
| P-4m2 (No. 115) | tetragonal | — | — | — | 5.63 |
| P-4m2 (No. 115) | tetragonal | — | — | — | 5.59 |
| R3m (No. 160) | trigonal | — | — | — | 5.42 |
| P-4m2 (No. 115) | tetragonal | — | — | — | 5.42 |
| P3m1 (No. 156) | trigonal | — | — | — | 5.41 |
| P3m1 (No. 156) | trigonal | — | — | — | 5.58 |
Applications
Where Cd2TeSe is used.
Frequently Asked Questions
Common questions about Cd2TeSe, answered from cross-validated data.
What is Cd2TeSe?
Cd2TeSe is a semiconducting cadmium-based ternary chalcogenide that is considered a likely candidate for laboratory synthesis.
What is Cd2TeSe used for?
What is the band gap of Cd2TeSe?
Is Cd2TeSe a metal, semiconductor, or insulator?
Is Cd2TeSe thermodynamically stable?
What is the crystal structure of Cd2TeSe?
How many polymorphs of Cd2TeSe are known?
What elements does Cd2TeSe contain?
Where does the data for Cd2TeSe come from?
How It Compares
As a ternary chalcogenide, Cd2TeSe occupies a unique position in materials research, serving as a structural and electronic bridge between simpler binary cadmium-chalcogenide 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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