Bi1Te2Tl1
Bi1Te2Tl1 is a stable, semiconducting bismuth chalcogenide material used in the study of thermoelectric energy conversion.
About Bi1Te2Tl1
Bi1Te2Tl1 is a member of the bismuth chalcogenide family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within this group of materials.
This compound is of significant interest in the field of thermoelectric research, where the precise control of electronic and thermal properties is essential. Its structural stability makes it a compelling candidate for investigating energy conversion efficiency and solid-state cooling applications.
Key Properties
Cross-validated computational properties for Bi1Te2Tl1, 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.
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 Bi1Te2Tl1, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.47 | 0.0000 | -3.658 | 7.77 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1202 | -3.538 | 8.12 |
| I-4m2 (No. 119) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Bi1Te2Tl1 is used.
Frequently Asked Questions
Common questions about Bi1Te2Tl1, answered from cross-validated data.
What is Bi1Te2Tl1?
Bi1Te2Tl1 is a stable, semiconducting bismuth chalcogenide material used in the study of thermoelectric energy conversion.
What is Bi1Te2Tl1 used for?
What is the band gap of Bi1Te2Tl1?
Is Bi1Te2Tl1 a metal, semiconductor, or insulator?
Is Bi1Te2Tl1 thermodynamically stable?
What is the crystal structure of Bi1Te2Tl1?
What is the density of Bi1Te2Tl1?
How many polymorphs of Bi1Te2Tl1 are known?
What elements does Bi1Te2Tl1 contain?
Where does the data for Bi1Te2Tl1 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the broader class of bismuth chalcogenide thermoelectrics, Bi1Te2Tl1 offers a distinct chemical composition compared to the binary standards like Bi2Te3 or Bi2Se3. While Bi2Te3 remains the most-studied benchmark for thermoelectric performance, the inclusion of thallium in the Bi1Te2Tl1 lattice provides a unique structural variation that differentiates it from other ternary chalcogenides such as AgSbTe2 or KSbSe2.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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