Er2Zr2O7
Er2Zr2O7 is a metastable, insulating oxide compound composed of erbium, zirconium, and oxygen.
About Er2Zr2O7
Er2Zr2O7 is a complex oxide featuring erbium, zirconium, and oxygen. As a wide-band-gap insulator, it exhibits electronic properties characteristic of materials that resist electrical conduction, making it a subject of interest for specialized dielectric and optical applications.
While the compound is classified as metastable, its structural diversity is evidenced by numerous reported configurations across multiple databases. This indicates a complex energy landscape that researchers continue to investigate to understand its phase behavior and potential for high-temperature stability.
Key Properties
Cross-validated computational properties for Er2Zr2O7, 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 Er2Zr2O7, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 4.38 | 0.0821 | -9.397 | 5.74 |
| Fd-3m (No. 227) | cubic | 2.54 | 0.0854 | -9.394 | 7.13 |
| Pmma (No. 51) | orthorhombic | 3.06 | 0.1555 | -9.324 | 7.30 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Pmma (No. 51) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.74 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.88 |
| Fd-3m (No. 227) | Cubic | — | — | — | 7.63 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.10 |
| Fd-3m (No. 227) | Cubic | — | — | — | 7.13 |
| Fd-3m (No. 227) | Cubic | — | — | — | 7.32 |
Applications
Where Er2Zr2O7 is used.
Frequently Asked Questions
Common questions about Er2Zr2O7, answered from cross-validated data.
What is Er2Zr2O7?
Er2Zr2O7 is a metastable, insulating oxide compound composed of erbium, zirconium, and oxygen.
What is Er2Zr2O7 used for?
What is the band gap of Er2Zr2O7?
Is Er2Zr2O7 a metal, semiconductor, or insulator?
Is Er2Zr2O7 thermodynamically stable?
What is the crystal structure of Er2Zr2O7?
What is the density of Er2Zr2O7?
How many polymorphs of Er2Zr2O7 are known?
What elements does Er2Zr2O7 contain?
Where does the data for Er2Zr2O7 come from?
How It Compares
As a unique oxide in its structural family, Er2Zr2O7 serves as a critical reference point for understanding how lanthanide incorporation influences the stability and insulating character of zirconium-based ceramic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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