DyI3
DyI3 is a stable semiconducting dysprosium triiodide compound primarily used in specialized lighting and chemical applications.
About DyI3
DyI3 is a stable dysprosium triiodide compound that exhibits semiconducting electronic properties. As a member of the rare-earth halide family, it is recognized for its structural reliability and consistent thermodynamic profile, making it a well-documented material in inorganic chemistry research.
Its utility stems from its unique electronic characteristics, which allow it to function effectively in high-intensity discharge environments. The compound is frequently utilized in specialized industrial applications where the properties of rare-earth halides are essential for performance.
Key Properties
Cross-validated computational properties for DyI3, aggregated across 5 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 DyI3. 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 DyI3, 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. |
|---|---|---|---|---|---|
| — | — | 3.16 | 0.0000 | -1.554 | — |
| P63/mmc (No. 194) | hexagonal | 2.17 | 0.0000 | -3.949 | 4.29 |
| P63/mmc (No. 194) | hexagonal | 1.72 | 0.0000 | -1.331 | — |
| — | — | 2.94 | 0.0040 | -1.550 | — |
| — | — | 2.59 | 0.0594 | -1.494 | — |
| — | — | 2.22 | 0.0630 | -1.491 | — |
| — | — | 1.88 | 0.0694 | -1.484 | — |
| — | — | 2.63 | 0.0829 | -1.471 | — |
| — | — | 1.71 | 0.0878 | -1.466 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.4084 | -0.923 | — |
| — | — | 1.07 | 0.7211 | -0.833 | — |
| — | — | 0.64 | 0.7219 | -0.832 | — |
Applications
Where DyI3 is used.
Frequently Asked Questions
Common questions about DyI3, answered from cross-validated data.
What is DyI3?
DyI3 is a stable semiconducting dysprosium triiodide compound primarily used in specialized lighting and chemical applications.
What is DyI3 used for?
What is the band gap of DyI3?
Is DyI3 a metal, semiconductor, or insulator?
Is DyI3 thermodynamically stable?
What is the crystal structure of DyI3?
What is the density of DyI3?
How many polymorphs of DyI3 are known?
What elements does DyI3 contain?
Where does the data for DyI3 come from?
How It Compares
As a stable rare-earth triiodide, DyI3 serves as a representative example of the heavy lanthanide halide class, providing a baseline for understanding the structural and electronic trends observed in similar metal-halide systems.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)
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