Dy8S20Zr4
Dy8S20Zr4 is a thermodynamically stable semiconducting compound containing dysprosium, zirconium, and sulfur.
About Dy8S20Zr4
Dy8S20Zr4 is a complex multinary sulfide compound composed of dysprosium, zirconium, and sulfur. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within the rare-earth zirconium sulfide family.
This material exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating the interplay between heavy rare-earth elements and transition metals in chalcogenide frameworks. Its structural complexity is highlighted by its presence in multiple crystallographic databases.
Key Properties
Cross-validated computational properties for Dy8S20Zr4, 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 Dy8S20Zr4, 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 | 1.20 | 0.0000 | -6.988 | 5.90 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 5.85 |
Applications
Where Dy8S20Zr4 is used.
Frequently Asked Questions
Common questions about Dy8S20Zr4, answered from cross-validated data.
What is Dy8S20Zr4?
Dy8S20Zr4 is a thermodynamically stable semiconducting compound containing dysprosium, zirconium, and sulfur.
What is Dy8S20Zr4 used for?
What is the band gap of Dy8S20Zr4?
Is Dy8S20Zr4 a metal, semiconductor, or insulator?
Is Dy8S20Zr4 thermodynamically stable?
What is the crystal structure of Dy8S20Zr4?
What is the density of Dy8S20Zr4?
How many polymorphs of Dy8S20Zr4 are known?
What elements does Dy8S20Zr4 contain?
Where does the data for Dy8S20Zr4 come from?
How It Compares
As a unique multinary sulfide, Dy8S20Zr4 serves as an important representative of complex rare-earth zirconium chalcogenides, providing a stable structural benchmark for understanding how these elements coordinate within a semiconducting lattice.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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