TeSe2
This compound is a chalcogenide material composed of tellurium and selenium. It is primarily utilized in research settings as a semiconductor material for exploring optoelectronic properties and thin-film device development.
SeTe
Overview
Key Properties
Cross-validated computational properties for TeSe2, aggregated across 2 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.
0.65 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
64
2 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for TeSe2, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 0.65 | 0.0000 | -18.024 | 5.08 |
| Pm (No. 6) | Monoclinic | — | — | — | 8.50 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.02 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.18 |
| P2 (No. 3) | Monoclinic | — | — | — | 5.78 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.82 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.82 |
| C222 (No. 21) | Orthorhombic | — | — | — | 5.94 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 6.58 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.62 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.84 |
| C222 (No. 21) | Orthorhombic | — | — | — | 3.57 |
Uses
Applications
Where TeSe2 is used.
Semiconductor researchOptoelectronic device developmentThin-film technology studies
Reference
Frequently Asked Questions
Common questions about TeSe2, answered from cross-validated data.
What is TeSe2?
This compound is a chalcogenide material composed of tellurium and selenium. It is primarily utilized in research settings as a semiconductor material for exploring optoelectronic properties and thin-film device development.
More questions
What is TeSe2 used for?
TeSe2 is used in semiconductor research, optoelectronic device development, and thin-film technology studies.
What is the band gap of TeSe2?
TeSe2 has a DFT-computed band gap of 0.65 eV across 64 reported structures.
Is TeSe2 a metal, semiconductor, or insulator?
With a band gap up to 0.65 eV it is a semiconductor.
Is TeSe2 thermodynamically stable?
Yes — TeSe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of TeSe2?
The lowest-energy reported polymorph of TeSe2 is monoclinic symmetry, space group C2 (No. 5).
What is the density of TeSe2?
The computed density of the ground-state structure of TeSe2 is 5.08 g/cm³.
How many polymorphs of TeSe2 are known?
64 structures of TeSe2 are reported across 2 databases, spanning 15 distinct space groups.
What elements does TeSe2 contain?
TeSe2 contains Se and Te (2 elements).
Where does the data for TeSe2 come from?
TeSe2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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