Dy2S3
Dy2S3 is a thermodynamically stable semiconducting compound formed from dysprosium and sulfur.
About Dy2S3
Dy2S3 is a stable binary sulfide compound composed of dysprosium and sulfur. It exhibits semiconducting electronic properties, making it a subject of interest for fundamental studies into rare-earth chalcogenides and their potential integration into specialized electronic or optical systems.
As a material residing on the convex hull, it possesses significant thermodynamic stability. Its structural complexity is highlighted by the multiple distinct phases reported across various databases, reflecting the versatile coordination environments possible for dysprosium within a sulfur-based lattice.
Key Properties
Cross-validated computational properties for Dy2S3, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Dy2S3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Dy2S3, 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 | 0.59 | 0.0000 | -19.993 | 6.52 |
| Pnma (No. 62) | orthorhombic | 0.74 | 0.0065 | -19.986 | 6.52 |
| I-42d (No. 122) | tetragonal | 1.91 | 0.0323 | -19.961 | 6.50 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.47 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.53 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.52 |
| No. 0 | unknown | — | — | — | 1.63 |
Applications
Where Dy2S3 is used.
Frequently Asked Questions
Common questions about Dy2S3, answered from cross-validated data.
What is Dy2S3?
Dy2S3 is a thermodynamically stable semiconducting compound formed from dysprosium and sulfur.
What is Dy2S3 used for?
What is the band gap of Dy2S3?
Is Dy2S3 a metal, semiconductor, or insulator?
Is Dy2S3 thermodynamically stable?
What is the crystal structure of Dy2S3?
What is the density of Dy2S3?
How many polymorphs of Dy2S3 are known?
What elements does Dy2S3 contain?
Where does the data for Dy2S3 come from?
How It Compares
As a binary rare-earth chalcogenide, Dy2S3 represents a foundational example of this material class. It serves as a key reference point for understanding how lanthanide-sulfur bonding influences electronic behavior and structural polymorphism in the absence of other complex dopants or alloying elements.
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).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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