K2PdS2
K2PdS2 is a stable, semiconducting ternary sulfide compound containing potassium, palladium, and sulfur.
About K2PdS2
K2PdS2 is a ternary sulfide compound composed of potassium, palladium, and sulfur. As a thermodynamically stable material located on the convex hull, it represents a robust phase within its chemical system, making it a subject of interest for structural and electronic characterization.
This compound exhibits semiconducting electronic character, positioning it as a functional material for potential optoelectronic or sensing applications. Its existence across multiple reported structures suggests a degree of structural versatility that is valuable for fundamental materials science investigations.
Key Properties
Cross-validated computational properties for K2PdS2, 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 K2PdS2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 1.12 | 0.0000 | -11.282 | 3.41 |
| Immm (No. 71) | — | — | — | — | — |
| — | — | — | — | — | 3.32 |
Applications
Where K2PdS2 is used.
Frequently Asked Questions
Common questions about K2PdS2, answered from cross-validated data.
What is K2PdS2?
K2PdS2 is a stable, semiconducting ternary sulfide compound containing potassium, palladium, and sulfur.
What is K2PdS2 used for?
What is the band gap of K2PdS2?
Is K2PdS2 a metal, semiconductor, or insulator?
Is K2PdS2 thermodynamically stable?
What is the crystal structure of K2PdS2?
What is the density of K2PdS2?
How many polymorphs of K2PdS2 are known?
What elements does K2PdS2 contain?
Where does the data for K2PdS2 come from?
How It Compares
As a standalone ternary sulfide in this context, K2PdS2 serves as a foundational example of how alkali metals and transition metals can form stable, semiconducting frameworks with chalcogenide anions. Its thermodynamic stability distinguishes it as a reliable candidate for further experimental synthesis and property mapping compared to more metastable or elusive phases in similar chemical families.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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