Ho6Mn6O18
Ho6Mn6O18 is a stable, semiconducting rare-earth manganese oxide utilized in the study of oxygen-evolution catalysis.
About Ho6Mn6O18
Ho6Mn6O18 is a complex oxide belonging to the oxygen-evolution catalyst class. As a semiconducting material that sits on the thermodynamic convex hull, it represents a stable configuration of holmium, manganese, and oxygen atoms.
This compound is of significant interest in materials science due to its structural complexity, with multiple reported crystal configurations. Its electronic properties and stability make it a subject of investigation for potential roles in electrochemical energy conversion processes.
Key Properties
Cross-validated computational properties for Ho6Mn6O18, 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 Ho6Mn6O18, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.38 | 0.0000 | -8.789 | 7.24 |
| P63cm (No. 185) | hexagonal | 0.00 | 0.0002 | -8.789 | 7.24 |
| Pnma (No. 62) | orthorhombic | 0.44 | 0.0288 | -8.760 | 7.65 |
| Pnma (No. 62) | orthorhombic | 1.06 | 0.3119 | -8.477 | 6.75 |
| Cmc21 (No. 36) | orthorhombic | 0.49 | 0.3161 | -8.473 | 6.97 |
| — | — | — | — | — | 5.60 |
| P63cm (No. 185) | — | — | — | — | — |
| P63cm (No. 185) | — | — | — | — | — |
| P63cm (No. 185) | — | — | — | — | — |
| P63cm (No. 185) | — | — | — | — | — |
Applications
Where Ho6Mn6O18 is used.
Frequently Asked Questions
Common questions about Ho6Mn6O18, answered from cross-validated data.
What is Ho6Mn6O18?
Ho6Mn6O18 is a stable, semiconducting rare-earth manganese oxide utilized in the study of oxygen-evolution catalysis.
What is Ho6Mn6O18 used for?
What is the band gap of Ho6Mn6O18?
Is Ho6Mn6O18 a metal, semiconductor, or insulator?
Is Ho6Mn6O18 thermodynamically stable?
What is the crystal structure of Ho6Mn6O18?
What is the density of Ho6Mn6O18?
How many polymorphs of Ho6Mn6O18 are known?
What elements does Ho6Mn6O18 contain?
Where does the data for Ho6Mn6O18 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxygen-evolution catalysts, Ho6Mn6O18 is distinguished by its heavy rare-earth component compared to more common transition-metal oxides like NiO or LaMnO3. While many members of this class are simple binary or perovskite-structured oxides, this compound occupies a unique structural niche that differentiates it from the well-studied lithium-based intercalation materials like LiCoO2 and LiMn2O4.
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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