Bi2Te3
Bismuth telluride · Bismuth(III) telluride
Bismuth telluride is a stable semiconducting material extensively used for its superior thermoelectric properties in cooling and power generation.
About Bismuth telluride
Bismuth telluride is a thermodynamically stable bismuth chalcogenide that functions as a narrow-gap semiconductor. Its unique electronic structure makes it a cornerstone material for solid-state energy conversion technologies, where it excels at converting thermal gradients into electrical energy.
Due to its extensive research history and structural versatility, this compound is one of the most well-characterized materials in its class. It is primarily employed in the development of Peltier coolers and thermoelectric generators, where its ability to manage heat flow at the atomic level is highly valued.
Key Properties
Cross-validated computational properties for Bismuth telluride, aggregated across 6 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 Bi2Te3. 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 Bi2Te3, 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 | 0.34 | 0.0000 | -38.926 | 7.32 |
| R-3m (No. 166) | trigonal | 0.00 | 0.2496 | -38.676 | 7.81 |
| C2/m (No. 12) | monoclinic | 0.46 | 0.6343 | -38.291 | 3.71 |
| R-3m (No. 166) | — | — | — | — | — |
| — | — | — | — | — | 6.75 |
| P6/mmm (No. 191) | Hexagonal | — | — | — | 5.61 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P6/mmm (No. 191) | Hexagonal | — | — | — | 3.60 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Bismuth telluride is used.
Frequently Asked Questions
Common questions about Bismuth telluride, answered from cross-validated data.
What is Bi2Te3?
Bismuth telluride is a stable semiconducting material extensively used for its superior thermoelectric properties in cooling and power generation.
What is Bi2Te3 used for?
What is the band gap of Bi2Te3?
Is Bi2Te3 a metal, semiconductor, or insulator?
Is Bi2Te3 thermodynamically stable?
What is the crystal structure of Bi2Te3?
What is the density of Bi2Te3?
How many polymorphs of Bi2Te3 are known?
What elements does Bi2Te3 contain?
Where does the data for Bi2Te3 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the family of bismuth and antimony chalcogenides, Bi2Te3 stands out as the industry standard for room-temperature thermoelectric performance, often outperforming structural siblings like Bi2Se3 and Sb2Se3 in efficiency for cooling applications. While materials like Ge2Sb2Te5 are frequently explored for phase-change memory, Bi2Te3 remains the primary benchmark for thermoelectric energy harvesting.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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