EuS2
EuS2 is a metastable metallic compound composed of europium and sulfur that is primarily studied for its complex structural behavior.
About EuS2
EuS2 is a metallic sulfide compound featuring europium. As a metastable phase, it represents a complex structural arrangement that challenges conventional stability expectations for rare-earth chalcogenides.
Its metallic nature makes it a subject of interest for researchers investigating electronic transport properties in non-stoichiometric or high-pressure sulfide systems. The material is characterized by a high degree of structural diversity, as evidenced by the numerous distinct configurations reported in scientific literature.
Key Properties
Cross-validated computational properties for EuS2, aggregated across 6 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 EuS2. 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 EuS2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.41 | 0.0000 | -1.919 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0415 | -19.820 | 5.34 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0680 | -19.793 | 5.50 |
| — | — | 0.59 | 0.1272 | -1.576 | — |
| — | — | 0.00 | 0.9347 | -0.768 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.9773 | -18.884 | 5.70 |
| — | — | 0.00 | 1.2515 | -0.451 | — |
| P4/nmm (No. 129) | tetragonal | — | — | — | 5.50 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.05 |
| P-1 (No. 2) | triclinic | — | — | — | 4.03 |
| P2 (No. 3) | monoclinic | — | — | — | 4.39 |
| P2 (No. 3) | monoclinic | — | — | — | 4.77 |
Applications
Where EuS2 is used.
Frequently Asked Questions
Common questions about EuS2, answered from cross-validated data.
What is EuS2?
EuS2 is a metastable metallic compound composed of europium and sulfur that is primarily studied for its complex structural behavior.
What is EuS2 used for?
What is the band gap of EuS2?
Is EuS2 a metal, semiconductor, or insulator?
Is EuS2 thermodynamically stable?
What is the crystal structure of EuS2?
How many polymorphs of EuS2 are known?
What elements does EuS2 contain?
Where does the data for EuS2 come from?
How It Compares
As a unique metallic sulfide, EuS2 occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it stands as a distinct example of how europium can form complex, metastable metallic frameworks that differ significantly from more common, insulating rare-earth sulfides.
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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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