EuZrO3
EuZrO3 is a thermodynamically stable semiconducting oxide composed of europium, zirconium, and oxygen.
About EuZrO3
EuZrO3 is a complex oxide featuring europium and zirconium. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration that is of significant interest for researchers studying rare-earth transition metal oxides. Its semiconducting nature makes it a compelling candidate for electronic device architectures where precise control over charge transport is required. The material is characterized by a well-defined structural framework that supports its stability under various conditions, marking it as a reliable subject for fundamental materials science investigation. Its utility stems from the interplay between the localized electronic states of the europium ions and the structural stability provided by the zirconium-oxygen network.
Key Properties
Cross-validated computational properties for EuZrO3, 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.
Reported Structures
Lowest-energy structures reported for EuZrO3, 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 | 0.19 | 0.0000 | -10.376 | 7.05 |
| P213 (No. 198) | cubic | 0.47 | 0.0844 | -10.292 | 6.60 |
| Pm-3m (No. 221) | cubic | 0.39 | 0.0933 | -10.283 | 6.54 |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.54 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.13 |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.82 |
| No. 0 | unknown | — | — | — | 0.41 |
Applications
Where EuZrO3 is used.
Frequently Asked Questions
Common questions about EuZrO3, answered from cross-validated data.
What is EuZrO3?
EuZrO3 is a thermodynamically stable semiconducting oxide composed of europium, zirconium, and oxygen.
What is EuZrO3 used for?
What is the band gap of EuZrO3?
Is EuZrO3 a metal, semiconductor, or insulator?
Is EuZrO3 thermodynamically stable?
What is the crystal structure of EuZrO3?
What is the density of EuZrO3?
How many polymorphs of EuZrO3 are known?
What elements does EuZrO3 contain?
Where does the data for EuZrO3 come from?
How It Compares
As a distinct member of the rare-earth zirconate family, EuZrO3 occupies a unique position due to the magnetic and electronic contributions of the europium cation. Unlike simpler binary oxides, this compound offers a complex structural landscape that allows for tailored physical properties, serving as a foundational reference point for understanding how rare-earth substitution influences the stability and semiconducting behavior of perovskite-like oxide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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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