Ho8Pb4S16
Ho8Pb4S16 is a thermodynamically stable ternary semiconducting compound belonging to the lead chalcogenide class, primarily researched for its potential in thermoelectric applications.
About Ho8Pb4S16
Ho8Pb4S16 is a complex semiconducting material within the lead chalcogenide family. Its thermodynamic stability on the convex hull suggests a robust structural arrangement, making it a significant subject for researchers investigating advanced solid-state materials. The incorporation of holmium into the lead-sulfur framework alters its electronic landscape, providing unique properties distinct from simpler binary chalcogenides. This compound is primarily studied for its potential utility in thermoelectric energy conversion, where its specific electronic character and structural complexity are leveraged to manage thermal and electrical transport. Its existence across multiple structural databases underscores its importance as a stable phase in high-temperature material systems.
Key Properties
Cross-validated computational properties for Ho8Pb4S16, 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.
Reported Structures
Lowest-energy structures reported for Ho8Pb4S16, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 2.12 | 0.0008 | -6.120 | 6.36 |
| Pnma (No. 62) | orthorhombic | 2.25 | 0.0025 | -6.118 | 6.47 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 6.08 |
Applications
Where Ho8Pb4S16 is used.
Frequently Asked Questions
Common questions about Ho8Pb4S16, answered from cross-validated data.
What is Ho8Pb4S16?
Ho8Pb4S16 is a thermodynamically stable ternary semiconducting compound belonging to the lead chalcogenide class, primarily researched for its potential in thermoelectric applications.
What is Ho8Pb4S16 used for?
What is the band gap of Ho8Pb4S16?
Is Ho8Pb4S16 a metal, semiconductor, or insulator?
Is Ho8Pb4S16 thermodynamically stable?
What is the crystal structure of Ho8Pb4S16?
What is the density of Ho8Pb4S16?
How many polymorphs of Ho8Pb4S16 are known?
What elements does Ho8Pb4S16 contain?
Where does the data for Ho8Pb4S16 come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
Unlike the simpler binary lead chalcogenides such as PbS or PbSe, which are widely utilized for their straightforward rock-salt structures, Ho8Pb4S16 represents a more intricate ternary system. While members like PbS are foundational to thermoelectric research, Ho8Pb4S16 offers a different compositional complexity that allows for the tuning of properties through rare-earth substitution, distinguishing it from the binary or stoichiometric variants like PbS2 or Pb2S2.
Related Compounds
Other Lead 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).
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