K8P8Pd4S24
K8P8Pd4S24 is a semiconducting quaternary sulfide material that is theoretically stable and of interest for its complex structural chemistry.
About K8P8Pd4S24
K8P8Pd4S24 is a complex quaternary sulfide composed of potassium, phosphorus, palladium, and sulfur. As a semiconducting material, it represents an intriguing intersection of chalcogenide chemistry and transition metal coordination, offering unique electronic pathways within its crystal lattice.
This compound is considered near-hull, suggesting it occupies a favorable thermodynamic position that makes it a viable candidate for experimental synthesis. Its existence across multiple structural databases highlights its significance as a subject of interest for researchers investigating novel inorganic frameworks.
Key Properties
Cross-validated computational properties for K8P8Pd4S24, 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 K8P8Pd4S24, 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 | 1.24 | 0.0018 | -4.872 | 2.47 |
| — | — | — | — | — | 2.44 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where K8P8Pd4S24 is used.
Frequently Asked Questions
Common questions about K8P8Pd4S24, answered from cross-validated data.
What is K8P8Pd4S24?
K8P8Pd4S24 is a semiconducting quaternary sulfide material that is theoretically stable and of interest for its complex structural chemistry.
What is K8P8Pd4S24 used for?
What is the band gap of K8P8Pd4S24?
Is K8P8Pd4S24 a metal, semiconductor, or insulator?
Is K8P8Pd4S24 thermodynamically stable?
What is the crystal structure of K8P8Pd4S24?
What is the density of K8P8Pd4S24?
How many polymorphs of K8P8Pd4S24 are known?
What elements does K8P8Pd4S24 contain?
Where does the data for K8P8Pd4S24 come from?
How It Compares
As a specialized quaternary sulfide, K8P8Pd4S24 occupies a distinct niche in materials science where the combination of palladium and phosphorus within a sulfur-rich environment creates unique electronic properties. Unlike more common binary or ternary sulfides, this compound demonstrates the complexity achievable in multi-element systems, serving as a benchmark for understanding how structural motifs influence semiconducting behavior in complex chalcogenides.
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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