Hf2Mn2O6
Hf2Mn2O6 is a metastable, wide-band-gap oxide material investigated for its potential role in catalytic oxygen-evolution processes.
About Hf2Mn2O6
Hf2Mn2O6 is a complex oxide belonging to the oxygen-evolution catalyst class. Characterized by a wide-band-gap insulating electronic structure, this material represents an intriguing candidate for fundamental studies in electrochemical water splitting and surface reactivity. Although it is classified as a metastable phase, its structural diversity across multiple databases highlights its significance in materials discovery. It serves as a specialized subject for researchers investigating the interplay between heavy transition metals and oxygen evolution mechanisms. By focusing on its insulating nature, scientists aim to understand how such compounds can be modified or integrated into larger catalytic systems to optimize performance in energy conversion technologies.
Key Properties
Cross-validated computational properties for Hf2Mn2O6, 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 Hf2Mn2O6, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.33 | 0.0532 | -9.964 | 7.79 |
| — | — | — | — | — | 5.25 |
| I4/mcm (No. 140) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where Hf2Mn2O6 is used.
Frequently Asked Questions
Common questions about Hf2Mn2O6, answered from cross-validated data.
What is Hf2Mn2O6?
Hf2Mn2O6 is a metastable, wide-band-gap oxide material investigated for its potential role in catalytic oxygen-evolution processes.
What is Hf2Mn2O6 used for?
What is the band gap of Hf2Mn2O6?
Is Hf2Mn2O6 a metal, semiconductor, or insulator?
Is Hf2Mn2O6 thermodynamically stable?
What is the crystal structure of Hf2Mn2O6?
What is the density of Hf2Mn2O6?
How many polymorphs of Hf2Mn2O6 are known?
What elements does Hf2Mn2O6 contain?
Where does the data for Hf2Mn2O6 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly conductive or metallic members of this class such as LaNiO3, Hf2Mn2O6 is defined by its insulating electronic character, placing it in a distinct functional category compared to more traditional catalysts like LiMn2O4 or NiO. While many of its siblings are widely utilized for their established redox activity, this compound remains a subject of exploratory research due to its metastable nature and unique structural arrangement.
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).
- 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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