MnZnO2
MnZnO2 is a semimetallic oxide catalyst known for its complex structural variety and metastable thermodynamic state.
About MnZnO2
MnZnO2 is a complex oxide categorized within the oxygen-evolution catalyst family. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that distinguishes it from many traditional insulating oxide counterparts. Its structural landscape is well-documented, with numerous reported configurations across major materials databases.
Despite its academic interest, MnZnO2 is identified as being above the thermodynamic hull, suggesting inherent instability under standard conditions. This metastable nature makes it a compelling subject for researchers investigating phase transitions and the limits of catalytic material synthesis in electrochemical energy conversion systems.
Key Properties
Cross-validated computational properties for MnZnO2, 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 MnZnO2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.04 | 0.1657 | -6.825 | 4.67 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1767 | -6.814 | 4.84 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1799 | -6.811 | 4.85 |
| P1 (No. 1) | triclinic | 0.00 | 0.2545 | -6.737 | 5.03 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.2725 | -6.719 | 5.36 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.84 |
| P1 (No. 1) | Triclinic | — | — | — | 4.00 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.05 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 5.29 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.92 |
Applications
Where MnZnO2 is used.
Frequently Asked Questions
Common questions about MnZnO2, answered from cross-validated data.
What is MnZnO2?
MnZnO2 is a semimetallic oxide catalyst known for its complex structural variety and metastable thermodynamic state.
What is MnZnO2 used for?
What is the band gap of MnZnO2?
Is MnZnO2 a metal, semiconductor, or insulator?
Is MnZnO2 thermodynamically stable?
What is the crystal structure of MnZnO2?
What is the density of MnZnO2?
How many polymorphs of MnZnO2 are known?
What elements does MnZnO2 contain?
Where does the data for MnZnO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad class of oxygen-evolution catalysts, MnZnO2 occupies a unique niche compared to more stable, widely utilized members like LiCoO2 or LaMnO3. While compounds such as LiCoO2 are prized for their structural robustness and well-defined layered architectures, MnZnO2 presents a more challenging metastable profile, reflecting the complex interplay of manganese and zinc coordination in oxide lattices.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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