TlSbSe2
TlSbSe2 is a stable, semiconducting chalcogenide material utilized primarily in the study and development of thermoelectric energy conversion technologies.
About TlSbSe2
TlSbSe2 is a semiconducting member of the chalcogenide family, characterized by its high thermodynamic stability as it resides directly on the convex hull. Its structural integrity and electronic properties make it a subject of significant interest for researchers investigating advanced solid-state materials.
This compound is primarily studied within the context of thermoelectric energy conversion. By leveraging its semiconducting nature, scientists explore how TlSbSe2 can contribute to the development of efficient thermal-to-electric energy harvesting technologies.
Key Properties
Cross-validated computational properties for TlSbSe2, 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.
Reported Structures
Lowest-energy structures reported for TlSbSe2, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.83 | 0.0000 | -27.266 | 6.92 |
| Amm2 (No. 38) | orthorhombic | 0.07 | 0.0349 | -27.231 | 6.40 |
| Pm (No. 6) | monoclinic | 0.00 | 0.2499 | -27.016 | 7.06 |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.2787 | -26.987 | 7.16 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.6504 | -26.616 | 5.72 |
| P21 (No. 4) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 6.40 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 6.64 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.91 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.97 |
Applications
Where TlSbSe2 is used.
Frequently Asked Questions
Common questions about TlSbSe2, answered from cross-validated data.
What is TlSbSe2?
TlSbSe2 is a stable, semiconducting chalcogenide material utilized primarily in the study and development of thermoelectric energy conversion technologies.
What is TlSbSe2 used for?
What is the band gap of TlSbSe2?
Is TlSbSe2 a metal, semiconductor, or insulator?
Is TlSbSe2 thermodynamically stable?
What is the crystal structure of TlSbSe2?
What is the density of TlSbSe2?
How many polymorphs of TlSbSe2 are known?
What elements does TlSbSe2 contain?
Where does the data for TlSbSe2 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the broader class of bismuth and antimony chalcogenides, TlSbSe2 occupies a distinct position compared to well-established standards like Bi2Te3. While Bi2Te3 is the industry benchmark for thermoelectric performance, TlSbSe2 offers a unique structural alternative that provides researchers with a different chemical landscape to tune electronic and thermal transport properties.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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