Bi2Te4Pb
Bi2Te4Pb is a semiconducting bismuth chalcogenide compound investigated for its potential utility in thermoelectric energy conversion technologies.
About Bi2Te4Pb
Bi2Te4Pb is a complex semiconducting material within the bismuth chalcogenide family. Its composition positions it as a significant candidate for thermoelectric research, where its electronic properties are leveraged to manage heat-to-electricity conversion processes.
As a near-hull stable compound, it is considered a viable target for experimental synthesis. The material benefits from a rich structural landscape, with multiple reported configurations that highlight its flexibility and potential for tuning performance in thermal management applications.
Key Properties
Cross-validated computational properties for Bi2Te4Pb, 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 Bi2Te4Pb. 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 Bi2Te4Pb, 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 | 0.49 | 0.0011 | -39.619 | 7.49 |
| — | — | 0.62 | 0.0027 | -0.284 | — |
| R-3m (No. 166) | trigonal | 0.53 | 0.0092 | -0.288 | — |
| R3m (No. 160) | trigonal | 0.29 | 0.0280 | -0.269 | — |
| R3m (No. 160) | trigonal | 0.17 | 0.2081 | -39.412 | 7.62 |
| R3m (No. 160) | trigonal | — | — | — | 7.70 |
| R-3m (No. 166) | trigonal | — | — | — | 7.53 |
| R3m (No. 160) | trigonal | — | — | — | 7.70 |
| R-3m (No. 166) | trigonal | — | — | — | 7.75 |
| R3m (No. 160) | trigonal | — | — | — | 7.62 |
| R-3m (No. 166) | trigonal | — | — | — | 7.67 |
Applications
Where Bi2Te4Pb is used.
Frequently Asked Questions
Common questions about Bi2Te4Pb, answered from cross-validated data.
What is Bi2Te4Pb?
Bi2Te4Pb is a semiconducting bismuth chalcogenide compound investigated for its potential utility in thermoelectric energy conversion technologies.
What is Bi2Te4Pb used for?
What is the band gap of Bi2Te4Pb?
Is Bi2Te4Pb a metal, semiconductor, or insulator?
Is Bi2Te4Pb thermodynamically stable?
What is the crystal structure of Bi2Te4Pb?
What is the density of Bi2Te4Pb?
How many polymorphs of Bi2Te4Pb are known?
What elements does Bi2Te4Pb contain?
Where does the data for Bi2Te4Pb come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the broader class of bismuth chalcogenide thermoelectrics, Bi2Te4Pb serves as a specialized variant compared to the highly studied Bi2Te3. While Bi2Te3 remains the industry standard for thermoelectric cooling, Bi2Te4Pb offers a distinct chemical architecture that allows researchers to explore how lead incorporation modifies the electronic and thermal transport characteristics relative to simpler binary systems like Bi2Se3 or Sb2Te3.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
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)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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