TeSe
TeSe is a stable, semiconducting binary alloy composed of tellurium and selenium that is widely studied for its structural properties.
About TeSe
TeSe is a binary chalcogenide compound that exists as a thermodynamically stable phase on the convex hull. As a semiconducting material, it represents a significant intersection of tellurium and selenium chemistry, offering a tunable electronic environment that is highly relevant for fundamental materials research.
Given its extensive documentation across multiple databases, this compound serves as a critical reference point for understanding the structural diversity of chalcogen-based systems. Its stability and semiconducting nature make it a compelling subject for studies involving phase-change materials and optoelectronic device architectures.
Key Properties
Cross-validated computational properties for TeSe, 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 TeSe. 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 TeSe, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.71 | 0.0000 | -19.875 | 5.35 |
| P1 (No. 1) | triclinic | 0.41 | 0.0079 | -0.017 | — |
| — | — | 0.00 | 0.0922 | 0.081 | — |
| — | — | 0.00 | 0.0935 | 0.082 | — |
| — | — | 0.00 | 0.2308 | 0.220 | — |
| — | — | 0.00 | 0.2542 | 0.243 | — |
| — | — | 0.00 | 0.2542 | 0.243 | — |
| — | — | 0.00 | 0.3934 | 0.382 | — |
| — | — | 0.00 | 0.4389 | 0.428 | — |
| — | — | 0.00 | 0.5515 | 0.540 | — |
| P1 (No. 1) | triclinic | — | — | — | 5.31 |
| P1 (No. 1) | triclinic | — | — | — | 3.36 |
Synthesis Routes
Literature-extracted synthesis procedures targeting TeSe.
Applications
Where TeSe is used.
Frequently Asked Questions
Common questions about TeSe, answered from cross-validated data.
What is TeSe?
TeSe is a stable, semiconducting binary alloy composed of tellurium and selenium that is widely studied for its structural properties.
What is TeSe used for?
What is the band gap of TeSe?
Is TeSe a metal, semiconductor, or insulator?
Is TeSe thermodynamically stable?
What is the crystal structure of TeSe?
What is the density of TeSe?
How many polymorphs of TeSe are known?
How is TeSe synthesized?
What elements does TeSe contain?
Where does the data for TeSe come from?
How It Compares
As a distinct binary chalcogenide, TeSe occupies a unique position in materials science where it serves as a foundational example of stable selenium-tellurium bonding. Without direct structural siblings in this specific dataset, it acts as a primary benchmark for evaluating the electronic and structural trends common to binary semiconductor alloys.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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