Bi6Cu2Pb2S12
Bi6Cu2Pb2S12 is a semiconducting quaternary sulfide that is considered a promising candidate for experimental synthesis due to its favorable thermodynamic stability.
About Bi6Cu2Pb2S12
Bi6Cu2Pb2S12 is a complex quaternary sulfide composed of bismuth, copper, lead, and sulfur. Its electronic character as a semiconductor makes it a compelling candidate for specialized functional material research, particularly where specific charge transport properties are required.
The material is characterized by its near-hull thermodynamic stability, suggesting it is a viable target for experimental synthesis. With multiple reported structures across various databases, it represents a significant, if niche, entry in the landscape of complex chalcogenide systems.
Key Properties
Cross-validated computational properties for Bi6Cu2Pb2S12, aggregated across 4 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 Bi6Cu2Pb2S12, 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. |
|---|---|---|---|---|---|
| Pmc21 (No. 26) | orthorhombic | 0.62 | 0.0050 | -4.650 | 6.80 |
| Pmn21 (No. 31) | orthorhombic | 0.66 | 0.0214 | -4.633 | 6.81 |
| Pmc21 (No. 26) | orthorhombic | 0.56 | 0.0315 | -4.623 | 6.72 |
| No. 0 | unknown | — | — | — | 3.48 |
| No. 0 | unknown | — | — | — | 3.48 |
| Pmc21 (No. 26) | — | — | — | — | — |
| Pmc21 (No. 26) | — | — | — | — | — |
| Pmc21 (No. 26) | — | — | — | — | — |
| Pmc21 (No. 26) | — | — | — | — | — |
| — | — | — | — | — | 6.63 |
| — | — | — | — | — | 6.76 |
| — | — | — | — | — | 6.75 |
Applications
Where Bi6Cu2Pb2S12 is used.
Frequently Asked Questions
Common questions about Bi6Cu2Pb2S12, answered from cross-validated data.
What is Bi6Cu2Pb2S12?
Bi6Cu2Pb2S12 is a semiconducting quaternary sulfide that is considered a promising candidate for experimental synthesis due to its favorable thermodynamic stability.
What is Bi6Cu2Pb2S12 used for?
What is the band gap of Bi6Cu2Pb2S12?
Is Bi6Cu2Pb2S12 a metal, semiconductor, or insulator?
Is Bi6Cu2Pb2S12 thermodynamically stable?
What is the crystal structure of Bi6Cu2Pb2S12?
What is the density of Bi6Cu2Pb2S12?
How many polymorphs of Bi6Cu2Pb2S12 are known?
What elements does Bi6Cu2Pb2S12 contain?
Where does the data for Bi6Cu2Pb2S12 come from?
How It Compares
As a unique quaternary sulfide, this compound occupies a distinct space in materials research. While it lacks direct structural siblings in this specific classification, its composition reflects the broader trend of integrating heavy post-transition metals with chalcogens to tune electronic behavior in complex inorganic solids.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- 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).
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