ZnS2
ZnS2 is a semiconducting zinc-sulfur compound that serves as an important subject for studying structural diversity in the II-VI material class.
About ZnS2
ZnS2 is a semiconducting member of the II-VI materials class, characterized by its distinct sulfur-rich stoichiometry. It represents a complex structural arrangement that has been the subject of extensive investigation across multiple crystallographic databases.
While its thermodynamic stability profile suggests it sits above the hull, the compound remains a significant subject of study for researchers exploring the phase space of zinc-sulfur systems. Its electronic nature makes it a point of interest for understanding the behavior of non-standard chalcogenide phases.
Key Properties
Cross-validated computational properties for ZnS2, 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 ZnS2, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 1.42 | 0.1454 | -8.823 | 4.09 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.53 |
| P1 (No. 1) | Triclinic | — | — | — | 3.91 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.21 |
| P1 (No. 1) | Triclinic | — | — | — | 5.69 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.58 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.63 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.00 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.55 |
| P1 (No. 1) | Triclinic | — | — | — | 2.96 |
| Pc (No. 7) | Monoclinic | — | — | — | 3.92 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.57 |
Applications
Where ZnS2 is used.
Frequently Asked Questions
Common questions about ZnS2, answered from cross-validated data.
What is ZnS2?
ZnS2 is a semiconducting zinc-sulfur compound that serves as an important subject for studying structural diversity in the II-VI material class.
What is ZnS2 used for?
What is the band gap of ZnS2?
Is ZnS2 a metal, semiconductor, or insulator?
Is ZnS2 thermodynamically stable?
What is the crystal structure of ZnS2?
What is the density of ZnS2?
How many polymorphs of ZnS2 are known?
What elements does ZnS2 contain?
Where does the data for ZnS2 come from?
How It Compares
Within the ii-vi semiconductors class.
Unlike the highly stable and widely utilized ZnS, which is a foundational material in optoelectronics, ZnS2 represents a more metastable configuration within the II-VI family. While siblings like CdS and CdSe are well-established as robust semiconductors, ZnS2 occupies a more specialized niche, reflecting the broader structural diversity found in metal dichalcogenides compared to their simpler binary counterparts.
Related Compounds
Other II-VI Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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