Mg3MnO4
This material is a complex oxide containing magnesium and manganese. It is primarily studied as a functional ceramic material for potential use in advanced electronic and electrochemical systems.
Overview
Key Properties
Cross-validated computational properties for Mg3MnO4, 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.
1.13–4.67 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.
0.033 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Mg3MnO4, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 1.13 | 0.0335 | -6.984 | 3.93 |
| Pm-3m (No. 221) | cubic | 4.67 | 0.0470 | -6.971 | 3.90 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.90 |
| Pm-3m (No. 221) | Cubic | — | — | — | 4.07 |
| Pm-3m (No. 221) | Cubic | — | — | — | 4.15 |
Uses
Applications
Where Mg3MnO4 is used.
Materials science researchCatalysis studiesSolid-state electronics development
Reference
Frequently Asked Questions
Common questions about Mg3MnO4, answered from cross-validated data.
What is Mg3MnO4?
This material is a complex oxide containing magnesium and manganese. It is primarily studied as a functional ceramic material for potential use in advanced electronic and electrochemical systems.
More questions
What is Mg3MnO4 used for?
Mg3MnO4 is used in materials science research, catalysis studies, and solid-state electronics development.
What is the band gap of Mg3MnO4?
Mg3MnO4 has a DFT-computed band gap of 1.13–4.67 eV across 6 reported structures.
Is Mg3MnO4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.67 eV it is an insulator / wide-band-gap material.
Is Mg3MnO4 thermodynamically stable?
Mg3MnO4 has a lowest energy above hull of 0.033 eV/atom (metastable).
What is the crystal structure of Mg3MnO4?
The lowest-energy reported polymorph of Mg3MnO4 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Mg3MnO4?
The computed density of the ground-state structure of Mg3MnO4 is 3.93 g/cm³.
How many polymorphs of Mg3MnO4 are known?
6 structures of Mg3MnO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Mg3MnO4 contain?
Mg3MnO4 contains Mg, Mn, and O (3 elements).
Where does the data for Mg3MnO4 come from?
Mg3MnO4 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
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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