MgZn4O5
MgZn4O5 is a semiconducting oxide compound within the spinel catalyst family that is considered a promising candidate for experimental synthesis.
About MgZn4O5
MgZn4O5 is a complex semiconducting oxide that belongs to the broader family of spinel-related materials. Its position near the thermodynamic hull suggests it is a viable candidate for experimental synthesis and structural characterization in catalytic research.
As a multi-component oxide, it leverages the synergistic electronic properties of magnesium and zinc to facilitate surface reactions. Its structural versatility makes it an intriguing subject for investigating how cation distribution influences catalytic performance in industrial processes.
Key Properties
Cross-validated computational properties for MgZn4O5, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MgZn4O5. 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.
Reported Structures
Lowest-energy structures reported for MgZn4O5, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 1.02 | 0.0124 | -1.868 | — |
| P3m1 (No. 156) | trigonal | 1.44 | 0.0127 | -5.169 | 5.12 |
| P3m1 (No. 156) | trigonal | — | — | — | 4.92 |
| P3m1 (No. 156) | trigonal | — | — | — | 5.12 |
| P3m1 (No. 156) | trigonal | — | — | — | 5.23 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgZn4O5.
Applications
Where MgZn4O5 is used.
Frequently Asked Questions
Common questions about MgZn4O5, answered from cross-validated data.
What is MgZn4O5?
MgZn4O5 is a semiconducting oxide compound within the spinel catalyst family that is considered a promising candidate for experimental synthesis.
What is MgZn4O5 used for?
What is the band gap of MgZn4O5?
Is MgZn4O5 a metal, semiconductor, or insulator?
Is MgZn4O5 thermodynamically stable?
What is the crystal structure of MgZn4O5?
How many polymorphs of MgZn4O5 are known?
How is MgZn4O5 synthesized?
What elements does MgZn4O5 contain?
Where does the data for MgZn4O5 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of spinel and transition metal oxides, MgZn4O5 occupies a niche position compared to simpler binary oxides like ZnO or NiO. While materials such as MgAl2O4 serve as standard structural benchmarks for the spinel family, MgZn4O5 offers a distinct chemical environment that bridges the gap between basic binary catalysts and more complex perovskite-structured oxides like LaMnO3.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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