Er8Pb4S16
Er8Pb4S16 is a stable, semiconducting ternary lead chalcogenide used in advanced thermoelectric materials research.
About Er8Pb4S16
Er8Pb4S16 is a complex semiconducting lead chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its unique composition incorporating erbium into a lead-sulfur framework distinguishes it as a specialized material within the broader chalcogenide family.
This compound is primarily of interest in materials science for its potential in thermoelectric applications, where its electronic character and structural stability are leveraged to manipulate thermal and electrical transport. It serves as a key subject for researchers investigating how rare-earth integration modifies the performance of traditional lead-based systems.
Key Properties
Cross-validated computational properties for Er8Pb4S16, 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 Er8Pb4S16, 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 | 2.11 | 0.0000 | -6.117 | 6.46 |
| Pnma (No. 62) | orthorhombic | 2.25 | 0.0016 | -6.116 | 6.59 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 5.88 |
Applications
Where Er8Pb4S16 is used.
Frequently Asked Questions
Common questions about Er8Pb4S16, answered from cross-validated data.
What is Er8Pb4S16?
Er8Pb4S16 is a stable, semiconducting ternary lead chalcogenide used in advanced thermoelectric materials research.
What is Er8Pb4S16 used for?
What is the band gap of Er8Pb4S16?
Is Er8Pb4S16 a metal, semiconductor, or insulator?
Is Er8Pb4S16 thermodynamically stable?
What is the crystal structure of Er8Pb4S16?
What is the density of Er8Pb4S16?
How many polymorphs of Er8Pb4S16 are known?
What elements does Er8Pb4S16 contain?
Where does the data for Er8Pb4S16 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, Er8Pb4S16 represents a more intricate ternary architecture. While binary members like PbS are foundational for thermoelectric devices, this erbium-containing variant offers a distinct structural complexity that allows for different phonon scattering mechanisms and electronic tuning capabilities.
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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