Ge4K4Pb2S12
Ge4K4Pb2S12 is a stable, semiconducting quaternary sulfide compound composed of germanium, potassium, lead, and sulfur.
About Ge4K4Pb2S12
Ge4K4Pb2S12 is a complex quaternary sulfide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of germanium, potassium, lead, and sulfur atoms.
This material is of significant interest in solid-state chemistry due to its structural complexity and stability. Its unique composition allows researchers to investigate the interplay between heavy metal cations and chalcogenide frameworks in the development of new semiconductor technologies.
Key Properties
Cross-validated computational properties for Ge4K4Pb2S12, 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 Ge4K4Pb2S12, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.21 | 0.0000 | -4.642 | 3.27 |
| — | — | — | — | — | 3.17 |
| — | — | — | — | — | 2.87 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Ge4K4Pb2S12 is used.
Frequently Asked Questions
Common questions about Ge4K4Pb2S12, answered from cross-validated data.
What is Ge4K4Pb2S12?
Ge4K4Pb2S12 is a stable, semiconducting quaternary sulfide compound composed of germanium, potassium, lead, and sulfur.
What is Ge4K4Pb2S12 used for?
What is the band gap of Ge4K4Pb2S12?
Is Ge4K4Pb2S12 a metal, semiconductor, or insulator?
Is Ge4K4Pb2S12 thermodynamically stable?
What is the crystal structure of Ge4K4Pb2S12?
What is the density of Ge4K4Pb2S12?
How many polymorphs of Ge4K4Pb2S12 are known?
What elements does Ge4K4Pb2S12 contain?
Where does the data for Ge4K4Pb2S12 come from?
How It Compares
As a quaternary sulfide, Ge4K4Pb2S12 occupies a specialized niche within the broader landscape of complex chalcogenides. It serves as a representative example of how the integration of alkali metals with post-transition metal sulfides can yield stable, semiconducting architectures that are distinct from simpler binary or ternary systems.
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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