EuCl3
Europium(III) chloride · Europium trichloride
Europium(III) chloride is a stable, semimetallic compound primarily utilized as a precursor in the production of advanced optical and electronic materials.
About Europium(III) chloride
Europium(III) chloride is a thermodynamically stable inorganic compound that occupies a unique position in materials science due to its near-zero-gap electronic character. Its structural versatility is evidenced by its appearance across multiple databases, reflecting its importance in fundamental research and industrial chemistry.
This compound serves as a critical building block for the synthesis of various europium-based materials. Its chemical properties make it particularly useful in the development of specialized optical components and as a starting material for creating complex substances that require specific electronic configurations.
Key Properties
Cross-validated computational properties for Europium(III) chloride, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of EuCl3. 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 EuCl3, 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. |
|---|---|---|---|---|---|
| P63/m (No. 176) | hexagonal | 4.31 | 0.0000 | -2.396 | — |
| P63/m (No. 176) | hexagonal | 4.31 | 0.0000 | -2.396 | — |
| P63/m (No. 176) | hexagonal | 0.00 | 0.0000 | -6.266 | 4.19 |
| P21/m (No. 11) | monoclinic | 0.03 | 0.0003 | -6.266 | 4.20 |
| — | — | 0.00 | 0.1188 | -2.035 | — |
| — | — | 0.00 | 0.1630 | -1.991 | — |
| — | — | 0.00 | 0.1643 | -1.990 | — |
| — | — | 0.00 | 0.1897 | -1.964 | — |
| — | — | 0.00 | 0.2382 | -1.916 | — |
| — | — | 0.00 | 0.2529 | -1.901 | — |
| — | — | 0.00 | 0.2878 | -1.866 | — |
| — | — | 0.00 | 0.2914 | -1.863 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting EuCl3.
Applications
Where Europium(III) chloride is used.
Frequently Asked Questions
Common questions about Europium(III) chloride, answered from cross-validated data.
What is EuCl3?
Europium(III) chloride is a stable, semimetallic compound primarily utilized as a precursor in the production of advanced optical and electronic materials.
What is EuCl3 used for?
What is the band gap of EuCl3?
Is EuCl3 a metal, semiconductor, or insulator?
Is EuCl3 thermodynamically stable?
What is the crystal structure of EuCl3?
How many polymorphs of EuCl3 are known?
How is EuCl3 synthesized?
What elements does EuCl3 contain?
Where does the data for EuCl3 come from?
How It Compares
As a distinct inorganic compound, Europium(III) chloride stands as a foundational member of the lanthanide halide family. It is valued for its thermodynamic stability and its specific electronic behavior, which distinguishes it from more insulating halide counterparts used in conventional applications.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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