MgMn4Zn2O8
This complex oxide is a mixed-metal compound containing magnesium, manganese, and zinc. It is primarily utilized in advanced materials research for its potential magnetic and structural properties in solid-state chemistry.
MgMnOZn
Overview
Key Properties
Cross-validated computational properties for MgMn4Zn2O8, 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.
0.04–0.99 eV
Range across DFT structures
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.
0.142 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
55
2 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgMn4Zn2O8, 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 (No. 5) | monoclinic | 0.09 | 0.1415 | -7.328 | 4.85 |
| P1 (No. 1) | triclinic | 0.58 | 0.1459 | -7.324 | 4.87 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1463 | -7.323 | 4.86 |
| P-1 (No. 2) | triclinic | 0.45 | 0.1502 | -7.320 | 4.24 |
| P1 (No. 1) | triclinic | 0.00 | 0.1524 | -7.317 | 4.13 |
| P1 (No. 1) | triclinic | 0.46 | 0.1675 | -7.302 | 4.82 |
| C2/m (No. 12) | monoclinic | 0.91 | 0.1720 | -7.298 | 4.85 |
| P1 (No. 1) | triclinic | 0.00 | 0.1726 | -7.297 | 4.76 |
| P1 (No. 1) | triclinic | 0.25 | 0.1782 | -7.292 | 4.63 |
| P1 (No. 1) | triclinic | 0.00 | 0.1820 | -7.288 | 4.52 |
| Pm (No. 6) | monoclinic | 0.14 | 0.1841 | -7.286 | 4.44 |
| C2/m (No. 12) | monoclinic | 0.04 | 0.1923 | -7.278 | 4.71 |
Uses
Applications
Where MgMn4Zn2O8 is used.
Materials science researchSolid-state chemistry studiesMagnetic material development
Reference
Frequently Asked Questions
Common questions about MgMn4Zn2O8, answered from cross-validated data.
What is MgMn4Zn2O8?
This complex oxide is a mixed-metal compound containing magnesium, manganese, and zinc. It is primarily utilized in advanced materials research for its potential magnetic and structural properties in solid-state chemistry.
What is MgMn4Zn2O8 used for?
MgMn4Zn2O8 is used in materials science research, solid-state chemistry studies, and magnetic material development.
What is the band gap of MgMn4Zn2O8?
MgMn4Zn2O8 has a DFT-computed band gap of 0.04–0.99 eV across 55 reported structures.
Is MgMn4Zn2O8 a metal, semiconductor, or insulator?
With a band gap up to 0.99 eV it is a semiconductor.
Is MgMn4Zn2O8 thermodynamically stable?
MgMn4Zn2O8 has a lowest energy above hull of 0.142 eV/atom (above hull).
What is the crystal structure of MgMn4Zn2O8?
The lowest-energy reported polymorph of MgMn4Zn2O8 is monoclinic symmetry, space group C2 (No. 5).
What is the density of MgMn4Zn2O8?
The computed density of the ground-state structure of MgMn4Zn2O8 is 4.85 g/cm³.
How many polymorphs of MgMn4Zn2O8 are known?
55 structures of MgMn4Zn2O8 are reported across 2 databases, spanning 7 distinct space groups.
What elements does MgMn4Zn2O8 contain?
MgMn4Zn2O8 contains Mg, Mn, O, and Zn (4 elements).
Where does the data for MgMn4Zn2O8 come from?
MgMn4Zn2O8 data is cross-referenced from materials_project, mpaloe.
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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