Mn3CrO8
Mn3CrO8 is a metastable, semiconducting transition metal oxide that serves as a research material for oxygen-evolution catalytic processes.
About Mn3CrO8
Mn3CrO8 is a complex oxide categorized within the oxygen-evolution catalyst family. As a semiconducting material, it exhibits electronic properties that are of significant interest for electrochemical water splitting and related energy conversion processes. Its structural complexity is highlighted by its presence in multiple crystallographic databases, reflecting its role as a subject of investigation in materials science. While it is classified as metastable, this specific phase stability profile makes it a compelling candidate for researchers aiming to tune catalytic performance through structural control. Its composition of manganese, chromium, and oxygen allows for versatile interactions during redox-active processes, positioning it as a specialized material in the broader landscape of transition metal oxides.
Key Properties
Cross-validated computational properties for Mn3CrO8, 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 Mn3CrO8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.57 | 0.0559 | -8.216 | 4.47 |
| R-3m (No. 166) | trigonal | 0.87 | 0.0700 | -8.202 | 4.02 |
| P4332 (No. 212) | cubic | 0.95 | 0.0868 | -8.186 | 4.08 |
| R-3m (No. 166) | trigonal | 0.78 | 0.0872 | -8.185 | 4.07 |
| R-3m (No. 166) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.47 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.02 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.69 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.43 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.26 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Mn3CrO8 is used.
Frequently Asked Questions
Common questions about Mn3CrO8, answered from cross-validated data.
What is Mn3CrO8?
Mn3CrO8 is a metastable, semiconducting transition metal oxide that serves as a research material for oxygen-evolution catalytic processes.
What is Mn3CrO8 used for?
What is the band gap of Mn3CrO8?
Is Mn3CrO8 a metal, semiconductor, or insulator?
Is Mn3CrO8 thermodynamically stable?
What is the crystal structure of Mn3CrO8?
What is the density of Mn3CrO8?
How many polymorphs of Mn3CrO8 are known?
What elements does Mn3CrO8 contain?
Where does the data for Mn3CrO8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, Mn3CrO8 occupies a distinct niche compared to more conventional materials like LiMn2O4 or LaMnO3. While many of its siblings are well-established, highly stable perovskites or spinel-structured oxides, Mn3CrO8 represents a more specialized, metastable phase that offers a different structural pathway for catalytic activity than the robust, widely utilized NiO.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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