Bi6Te10Pb
Bi6Te10Pb is a semiconducting bismuth chalcogenide compound investigated for its potential role in thermoelectric energy conversion technologies.
About Bi6Te10Pb
Bi6Te10Pb is a complex bismuth chalcogenide that exhibits semiconducting electronic behavior. As a near-hull compound, it occupies a favorable thermodynamic position, suggesting it is a viable candidate for synthesis and experimental investigation in materials science laboratories.
This material is of significant interest within the thermoelectric community due to its intricate stoichiometry. By leveraging the unique electronic properties inherent to the bismuth-telluride-lead system, researchers aim to develop high-performance materials capable of efficient thermal-to-electric energy conversion.
Key Properties
Cross-validated computational properties for Bi6Te10Pb, 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 Bi6Te10Pb. 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 Bi6Te10Pb, 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 | 0.48 | 0.0000 | -0.266 | — |
| — | — | 0.42 | 0.0006 | -0.257 | — |
| R-3m (No. 166) | trigonal | 0.32 | 0.2299 | -38.982 | 7.53 |
| R-3m (No. 166) | trigonal | — | — | — | 7.92 |
| R-3m (No. 166) | trigonal | — | — | — | 7.65 |
| R-3m (No. 166) | trigonal | — | — | — | 7.61 |
| R-3m (No. 166) | trigonal | — | — | — | 7.53 |
Applications
Where Bi6Te10Pb is used.
Frequently Asked Questions
Common questions about Bi6Te10Pb, answered from cross-validated data.
What is Bi6Te10Pb?
Bi6Te10Pb is a semiconducting bismuth chalcogenide compound investigated for its potential role in thermoelectric energy conversion technologies.
What is Bi6Te10Pb used for?
What is the band gap of Bi6Te10Pb?
Is Bi6Te10Pb a metal, semiconductor, or insulator?
Is Bi6Te10Pb thermodynamically stable?
What is the crystal structure of Bi6Te10Pb?
How many polymorphs of Bi6Te10Pb are known?
What elements does Bi6Te10Pb contain?
Where does the data for Bi6Te10Pb come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the diverse family of bismuth chalcogenide thermoelectrics, Bi6Te10Pb represents a more complex structural variant compared to the archetypal Bi2Te3. While Bi2Te3 is the industry standard for room-temperature thermoelectric applications, Bi6Te10Pb offers a distinct compositional profile that expands the design space for tuning transport properties beyond the simpler binary and ternary systems like Sb2Te3 or Ge2Sb2Te5.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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