MgMn3CuO8
MgMn3CuO8 is a metastable semiconducting quaternary oxide containing magnesium, manganese, and copper.
About MgMn3CuO8
MgMn3CuO8 is a complex quaternary oxide composed of magnesium, manganese, copper, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating transition metal oxide systems. Its status as a metastable phase suggests a unique structural configuration that requires specific synthetic conditions to stabilize, distinguishing it from more common, highly stable oxides. The material is currently documented across several structural variations, reflecting the diverse ways these metallic elements can coordinate within an oxygen lattice. This structural flexibility is a hallmark of complex oxides, providing a foundation for exploring functional properties in electronic or catalytic applications where tunable semiconducting behavior is required.
Key Properties
Cross-validated computational properties for MgMn3CuO8, aggregated across 2 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 MgMn3CuO8, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.00 | 0.0702 | -7.429 | 4.26 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0738 | -7.425 | 4.26 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0783 | -7.421 | 4.23 |
| C2/m (No. 12) | monoclinic | 0.36 | 0.0837 | -7.415 | 4.27 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1043 | -7.395 | 4.24 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.26 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.74 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.27 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.74 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.47 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.48 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.47 |
Frequently Asked Questions
Common questions about MgMn3CuO8, answered from cross-validated data.
What is MgMn3CuO8?
MgMn3CuO8 is a metastable semiconducting quaternary oxide containing magnesium, manganese, and copper.
What is the band gap of MgMn3CuO8?
Is MgMn3CuO8 a metal, semiconductor, or insulator?
Is MgMn3CuO8 thermodynamically stable?
What is the crystal structure of MgMn3CuO8?
What is the density of MgMn3CuO8?
How many polymorphs of MgMn3CuO8 are known?
What elements does MgMn3CuO8 contain?
Where does the data for MgMn3CuO8 come from?
How It Compares
As a metastable semiconducting oxide, MgMn3CuO8 represents a specialized case within the broader landscape of transition metal oxides. Unlike highly stable, naturally occurring mineral phases, this compound occupies a niche space where its electronic characteristics are heavily influenced by its specific atomic arrangement. Its existence as a metastable phase highlights the importance of precise synthesis in accessing materials that do not readily form under standard equilibrium conditions.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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