Ca2O8Y4
Ca2O8Y4 is a metastable, insulating oxide compound containing calcium, yttrium, and oxygen.
About Ca2O8Y4
Ca2O8Y4 is a complex oxide composed of calcium, yttrium, and oxygen. As a wide-band-gap insulator, it exhibits electronic properties characteristic of highly stable dielectric materials, though it exists in a metastable state that makes its synthesis and structural evolution a subject of significant interest in solid-state chemistry.
Because of its unique elemental composition, this compound serves as a valuable case study for researchers investigating the stability limits of complex oxides. Its existence across multiple structural configurations highlights the intricate phase landscape of the calcium-yttrium-oxygen system.
Key Properties
Cross-validated computational properties for Ca2O8Y4, 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 Ca2O8Y4, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 4.15 | 0.0394 | -8.703 | 4.12 |
| Pnma (No. 62) | orthorhombic | 3.67 | 0.0718 | -8.671 | 4.69 |
| Cmcm (No. 63) | orthorhombic | 3.12 | 0.0764 | -8.666 | 4.61 |
| Fd-3m (No. 227) | — | — | — | — | — |
| — | — | — | — | — | 4.61 |
Applications
Where Ca2O8Y4 is used.
Frequently Asked Questions
Common questions about Ca2O8Y4, answered from cross-validated data.
What is Ca2O8Y4?
Ca2O8Y4 is a metastable, insulating oxide compound containing calcium, yttrium, and oxygen.
What is Ca2O8Y4 used for?
What is the band gap of Ca2O8Y4?
Is Ca2O8Y4 a metal, semiconductor, or insulator?
Is Ca2O8Y4 thermodynamically stable?
What is the crystal structure of Ca2O8Y4?
What is the density of Ca2O8Y4?
How many polymorphs of Ca2O8Y4 are known?
What elements does Ca2O8Y4 contain?
Where does the data for Ca2O8Y4 come from?
How It Compares
As a unique member of the calcium-yttrium-oxygen oxide family, Ca2O8Y4 occupies a specialized niche where its metastable nature distinguishes it from more commonly synthesized, thermodynamically stable phases in the same chemical system.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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