Cr2O8Yb2
Cr2O8Yb2 is a thermodynamically stable semiconducting spinel oxide used in material research for its catalytic potential.
About Cr2O8Yb2
Cr2O8Yb2 is a semiconducting spinel oxide that occupies a stable position on the convex hull, indicating robust thermodynamic favorability. This stability makes it a compelling subject for materials research, particularly in the context of advanced catalytic systems where structural integrity under operational conditions is paramount.
As a member of the spinel oxide family, this compound leverages its electronic character to facilitate surface-mediated reactions. Its presence in multiple structural databases highlights its significance as a well-characterized material with potential for specialized chemical processing and energy-related applications.
Key Properties
Cross-validated computational properties for Cr2O8Yb2, 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 Cr2O8Yb2, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 2.33 | 0.0000 | -15.447 | 6.37 |
| — | — | — | — | — | 5.90 |
| — | — | — | — | — | 5.90 |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
Applications
Where Cr2O8Yb2 is used.
Frequently Asked Questions
Common questions about Cr2O8Yb2, answered from cross-validated data.
What is Cr2O8Yb2?
Cr2O8Yb2 is a thermodynamically stable semiconducting spinel oxide used in material research for its catalytic potential.
What is Cr2O8Yb2 used for?
What is the band gap of Cr2O8Yb2?
Is Cr2O8Yb2 a metal, semiconductor, or insulator?
Is Cr2O8Yb2 thermodynamically stable?
What is the crystal structure of Cr2O8Yb2?
What is the density of Cr2O8Yb2?
How many polymorphs of Cr2O8Yb2 are known?
What elements does Cr2O8Yb2 contain?
Where does the data for Cr2O8Yb2 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the simple binary oxides such as ZnO or NiO, Cr2O8Yb2 features a more complex ternary structure that allows for greater tuning of its semiconducting properties. While materials like MgAl2O4 serve as classic structural benchmarks for the spinel class, Cr2O8Yb2 provides a distinct chemical environment that bridges the gap between simple insulating oxides and more intricate transition metal-based perovskites like LaMnO3.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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