Eu2I2O
Eu2I2O is a thermodynamically stable semimetallic compound consisting of europium, iodine, and oxygen.
About Eu2I2O
Eu2I2O is a distinct inorganic compound composed of europium, iodine, and oxygen. It is characterized by its thermodynamically stable nature, as it sits on the convex hull, indicating a robust structural configuration under standard conditions.
This material exhibits near-zero-gap electronic character, placing it in the semimetallic regime. Its unique elemental composition and electronic properties make it a subject of interest for researchers exploring complex ternary systems that bridge the gap between metallic and semiconducting behaviors.
Key Properties
Cross-validated computational properties for Eu2I2O, 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 Eu2I2O. 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 Eu2I2O, 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. |
|---|---|---|---|---|---|
| — | — | 3.08 | 0.0000 | -2.518 | — |
| Ibam (No. 72) | orthorhombic | 0.05 | 0.1310 | -7.958 | 6.18 |
| Ibam (No. 72) | orthorhombic | 0.00 | 0.2106 | -1.881 | — |
| Ibam (No. 72) | orthorhombic | 0.00 | 0.2106 | -1.881 | — |
Frequently Asked Questions
Common questions about Eu2I2O, answered from cross-validated data.
What is Eu2I2O?
Eu2I2O is a thermodynamically stable semimetallic compound consisting of europium, iodine, and oxygen.
What is the band gap of Eu2I2O?
Is Eu2I2O a metal, semiconductor, or insulator?
Is Eu2I2O thermodynamically stable?
What is the crystal structure of Eu2I2O?
What is the density of Eu2I2O?
How many polymorphs of Eu2I2O are known?
What elements does Eu2I2O contain?
Where does the data for Eu2I2O come from?
How It Compares
As a singular entry in this specific chemical space, Eu2I2O serves as a foundational reference point for understanding the interplay between rare-earth elements, halides, and oxygen in stable lattice configurations.
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)
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