Mn5CrO12
Mn5CrO12 is a metastable semiconducting oxide being researched for its catalytic performance in oxygen-evolution reactions.
About Mn5CrO12
Mn5CrO12 is a complex oxide belonging to the class of oxygen-evolution catalysts. As a semiconducting material, it is primarily studied for its potential to facilitate electrochemical reactions, specifically the splitting of water to produce oxygen gas. Its electronic character makes it an intriguing candidate for researchers looking to tune catalytic activity through composition. The compound exists in a metastable state, which presents both challenges and opportunities for synthetic control. Because it is a less conventional member of the oxide catalyst family, it is the subject of ongoing structural investigations to determine how its specific atomic arrangement influences its surface reactivity and long-term stability during electrochemical cycling.
Key Properties
Cross-validated computational properties for Mn5CrO12, 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 Mn5CrO12, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.84 | 0.0629 | -8.177 | 4.17 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.17 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.64 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.35 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Mn5CrO12 is used.
Frequently Asked Questions
Common questions about Mn5CrO12, answered from cross-validated data.
What is Mn5CrO12?
Mn5CrO12 is a metastable semiconducting oxide being researched for its catalytic performance in oxygen-evolution reactions.
What is Mn5CrO12 used for?
What is the band gap of Mn5CrO12?
Is Mn5CrO12 a metal, semiconductor, or insulator?
Is Mn5CrO12 thermodynamically stable?
What is the crystal structure of Mn5CrO12?
What is the density of Mn5CrO12?
How many polymorphs of Mn5CrO12 are known?
What elements does Mn5CrO12 contain?
Where does the data for Mn5CrO12 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxide oxygen-evolution catalysts, Mn5CrO12 occupies a niche position compared to more established materials like LaMnO3 or LiMn2O4. While compounds such as LaMnO3 are widely utilized for their robust perovskite frameworks and well-understood catalytic pathways, Mn5CrO12 offers a distinct structural complexity that differentiates it from the simpler binary oxides like NiO or the layered lithium-based oxides like LiCoO2.
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).
Analyze Mn5CrO12 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →