CrO2Zn
CrO2Zn is a semiconducting spinel oxide compound that is primarily studied for its structural properties and potential catalytic behavior.
About CrO2Zn
CrO2Zn is a complex oxide belonging to the spinel-related family of materials. As a semiconducting compound, it represents a specialized configuration of chromium, oxygen, and zinc atoms that is of interest for fundamental research into catalytic oxide systems.
While the material is characterized as being thermodynamically above the hull, its existence in structural databases highlights its role in exploring metastable phases. Its electronic nature makes it a subject of interest for those studying the intersection of transition metal oxides and semiconducting behavior.
Key Properties
Cross-validated computational properties for CrO2Zn, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CrO2Zn. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Applications
Where CrO2Zn is used.
Frequently Asked Questions
Common questions about CrO2Zn, answered from cross-validated data.
What is CrO2Zn?
CrO2Zn is a semiconducting spinel oxide compound that is primarily studied for its structural properties and potential catalytic behavior.
What is CrO2Zn used for?
What is the band gap of CrO2Zn?
Is CrO2Zn a metal, semiconductor, or insulator?
Is CrO2Zn thermodynamically stable?
How many polymorphs of CrO2Zn are known?
What elements does CrO2Zn contain?
Where does the data for CrO2Zn come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike highly stable and widely utilized oxides such as ZnO or the robust spinel MgAl2O4, CrO2Zn exists in a more precarious thermodynamic state. While compounds like LaMnO3 or LaNiO3 are frequently leveraged for their catalytic and electronic versatility, CrO2Zn serves as a more niche, exploratory member of the spinel oxide class due to its relative instability.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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