K4P4Pb4S16
K4P4Pb4S16 is a stable, semiconducting quaternary sulfide compound containing potassium, phosphorus, lead, and sulfur.
About K4P4Pb4S16
K4P4Pb4S16 is a complex quaternary sulfide compound composed of potassium, phosphorus, lead, and sulfur. As a thermodynamically stable material residing on the convex hull, it represents a robust structural arrangement within the chalcogenide family.
This compound exhibits semiconducting electronic characteristics, making it an interesting subject for materials science research. Its unique stoichiometry and structural stability suggest potential utility in electronic and optoelectronic applications where specific band structures are required.
Key Properties
Cross-validated computational properties for K4P4Pb4S16, 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 K4P4Pb4S16, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.32 | 0.0000 | -4.785 | 3.57 |
| — | — | — | — | — | 2.75 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where K4P4Pb4S16 is used.
Frequently Asked Questions
Common questions about K4P4Pb4S16, answered from cross-validated data.
What is K4P4Pb4S16?
K4P4Pb4S16 is a stable, semiconducting quaternary sulfide compound containing potassium, phosphorus, lead, and sulfur.
What is K4P4Pb4S16 used for?
What is the band gap of K4P4Pb4S16?
Is K4P4Pb4S16 a metal, semiconductor, or insulator?
Is K4P4Pb4S16 thermodynamically stable?
What is the crystal structure of K4P4Pb4S16?
What is the density of K4P4Pb4S16?
How many polymorphs of K4P4Pb4S16 are known?
What elements does K4P4Pb4S16 contain?
Where does the data for K4P4Pb4S16 come from?
How It Compares
As a specialized quaternary sulfide, K4P4Pb4S16 occupies a distinct niche in materials chemistry. Unlike simpler binary or ternary sulfides, its complex framework allows for nuanced electronic tuning, positioning it as a sophisticated candidate for research into advanced semiconductor architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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