Na4Pd2S4
Na4Pd2S4 is a stable, semiconducting ternary sulfide compound containing sodium, palladium, and sulfur.
About Na4Pd2S4
Na4Pd2S4 is a ternary sulfide compound composed of sodium, palladium, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, characterized by a semiconducting electronic nature.
The structural integrity of this compound is supported by multiple reported entries across various materials databases. Its specific arrangement of elements makes it a subject of interest for researchers investigating the electronic and structural diversity of complex metal sulfides.
Key Properties
Cross-validated computational properties for Na4Pd2S4, 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 Na4Pd2S4, 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 | 0.94 | 0.0000 | -10.224 | 3.62 |
| — | — | — | — | — | 2.63 |
| — | — | — | — | — | 3.29 |
| Cmc21 (No. 36) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Na4Pd2S4, answered from cross-validated data.
What is Na4Pd2S4?
Na4Pd2S4 is a stable, semiconducting ternary sulfide compound containing sodium, palladium, and sulfur.
What is the band gap of Na4Pd2S4?
Is Na4Pd2S4 a metal, semiconductor, or insulator?
Is Na4Pd2S4 thermodynamically stable?
What is the crystal structure of Na4Pd2S4?
What is the density of Na4Pd2S4?
How many polymorphs of Na4Pd2S4 are known?
What elements does Na4Pd2S4 contain?
Where does the data for Na4Pd2S4 come from?
How It Compares
As a distinct ternary sulfide, Na4Pd2S4 occupies a unique position in the landscape of sodium-palladium-sulfur materials. Without direct structural siblings in this specific classification, it serves as a primary reference point for understanding the stability and semiconducting behavior of alkali-transition metal 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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