Gd6O14Ru2
Gd6O14Ru2 is a stable semiconducting oxide compound engineered for potential applications in oxygen-evolution catalysis.
About Gd6O14Ru2
Gd6O14Ru2 is a complex oxide belonging to the class of oxygen-evolution catalysts. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement that is highly favorable for catalytic investigations.
This semiconducting material leverages the electronic properties of gadolinium and ruthenium to facilitate electrochemical reactions. Its structural integrity makes it a compelling candidate for researchers seeking robust catalysts for water splitting and other energy-conversion applications.
Key Properties
Cross-validated computational properties for Gd6O14Ru2, 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 Gd6O14Ru2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.14 | 0.0000 | -10.961 | 7.91 |
| Pna21 (No. 33) | orthorhombic | 0.15 | 0.0129 | -10.948 | 7.75 |
| Cmcm (No. 63) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.97 |
Applications
Where Gd6O14Ru2 is used.
Frequently Asked Questions
Common questions about Gd6O14Ru2, answered from cross-validated data.
What is Gd6O14Ru2?
Gd6O14Ru2 is a stable semiconducting oxide compound engineered for potential applications in oxygen-evolution catalysis.
What is Gd6O14Ru2 used for?
What is the band gap of Gd6O14Ru2?
Is Gd6O14Ru2 a metal, semiconductor, or insulator?
Is Gd6O14Ru2 thermodynamically stable?
What is the crystal structure of Gd6O14Ru2?
What is the density of Gd6O14Ru2?
How many polymorphs of Gd6O14Ru2 are known?
What elements does Gd6O14Ru2 contain?
Where does the data for Gd6O14Ru2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the widely utilized lithium-based transition metal oxides such as LiCoO2 or LiMn2O4, which are primarily focused on battery intercalation chemistry, Gd6O14Ru2 is specifically characterized by its role in oxygen-evolution catalysis. While simple binary oxides like NiO are often studied for their basic catalytic activity, this gadolinium-ruthenium complex offers a more intricate structural framework that distinguishes it from the simpler perovskite structures like LaMnO3.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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