O6Sc2Y2
O6Sc2Y2 is a wide-band-gap insulating oxide composed of scandium and yttrium that is considered likely to be synthesizable due to its thermodynamic stability.
About O6Sc2Y2
O6Sc2Y2 is an insulating oxide composed of scandium, yttrium, and oxygen. Its electronic structure is characterized by a wide band gap, making it a subject of interest for applications requiring stable, non-conductive ceramic materials. The compound exhibits thermodynamic stability near the hull, suggesting it is a viable candidate for experimental synthesis and structural characterization. With multiple reported structural arrangements, it demonstrates a notable level of complexity in its atomic configuration. This material is primarily investigated for its potential role in specialized dielectric or optical components where high-stability insulating oxides are required. Its unique combination of rare-earth elements and transition metals provides a distinct structural framework that researchers utilize to explore new ceramic properties.
Key Properties
Cross-validated computational properties for O6Sc2Y2, aggregated across 2 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 O6Sc2Y2, 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. |
|---|---|---|---|---|---|
| P63cm (No. 185) | hexagonal | 3.14 | 0.0199 | -9.478 | 4.50 |
| Pnma (No. 62) | orthorhombic | 4.43 | 0.0287 | -9.470 | 4.79 |
| P63/mmc (No. 194) | hexagonal | 3.20 | 0.0309 | -9.468 | 4.35 |
| R-3c (No. 167) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| Fmmm (No. 69) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
Applications
Where O6Sc2Y2 is used.
Frequently Asked Questions
Common questions about O6Sc2Y2, answered from cross-validated data.
What is O6Sc2Y2?
O6Sc2Y2 is a wide-band-gap insulating oxide composed of scandium and yttrium that is considered likely to be synthesizable due to its thermodynamic stability.
What is O6Sc2Y2 used for?
What is the band gap of O6Sc2Y2?
Is O6Sc2Y2 a metal, semiconductor, or insulator?
Is O6Sc2Y2 thermodynamically stable?
What is the crystal structure of O6Sc2Y2?
What is the density of O6Sc2Y2?
How many polymorphs of O6Sc2Y2 are known?
What elements does O6Sc2Y2 contain?
Where does the data for O6Sc2Y2 come from?
How It Compares
As a unique oxide phase, O6Sc2Y2 represents a specialized material within the broader landscape of scandium-yttrium-oxygen systems. It serves as a distinct structural variant that bridges the gap between simpler binary oxides and more complex multi-component ceramic frameworks.
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).
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