Na8MgMn2O8
This compound is a complex sodium-based oxide containing magnesium and manganese. It is primarily investigated in materials science research for its potential role in advanced electrochemical energy storage systems.
Overview
Key Properties
Cross-validated computational properties for Na8MgMn2O8, 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.
0.81–1.12 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.
0.091 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
16
2 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Na8MgMn2O8, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.12 | 0.0912 | -5.464 | 2.85 |
| P1 (No. 1) | triclinic | 0.81 | 0.0942 | -5.461 | 2.69 |
| P1 (No. 1) | triclinic | 0.89 | 0.0980 | -5.458 | 2.71 |
| P1 (No. 1) | triclinic | 0.86 | 0.1220 | -5.434 | 2.67 |
| P1 (No. 1) | Triclinic | — | — | — | 2.69 |
| P1 (No. 1) | Triclinic | — | — | — | 2.88 |
| P1 (No. 1) | Triclinic | — | — | — | 2.71 |
| P1 (No. 1) | Triclinic | — | — | — | 2.83 |
| P1 (No. 1) | Triclinic | — | — | — | 2.85 |
| P1 (No. 1) | Triclinic | — | — | — | 2.67 |
| P1 (No. 1) | Triclinic | — | — | — | 2.85 |
| P1 (No. 1) | Triclinic | — | — | — | 2.97 |
Uses
Applications
Where Na8MgMn2O8 is used.
Battery electrode researchSolid-state ion conductor developmentMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about Na8MgMn2O8, answered from cross-validated data.
What is Na8MgMn2O8?
This compound is a complex sodium-based oxide containing magnesium and manganese. It is primarily investigated in materials science research for its potential role in advanced electrochemical energy storage systems.
More questions
What is Na8MgMn2O8 used for?
Na8MgMn2O8 is used in battery electrode research, solid-state ion conductor development, and materials science experimentation.
What is the band gap of Na8MgMn2O8?
Na8MgMn2O8 has a DFT-computed band gap of 0.81–1.12 eV across 16 reported structures.
Is Na8MgMn2O8 a metal, semiconductor, or insulator?
With a band gap up to 1.12 eV it is a semiconductor.
Is Na8MgMn2O8 thermodynamically stable?
Na8MgMn2O8 has a lowest energy above hull of 0.091 eV/atom (metastable).
What is the crystal structure of Na8MgMn2O8?
The lowest-energy reported polymorph of Na8MgMn2O8 is triclinic symmetry, space group P1 (No. 1).
What is the density of Na8MgMn2O8?
The computed density of the ground-state structure of Na8MgMn2O8 is 2.85 g/cm³.
How many polymorphs of Na8MgMn2O8 are known?
16 structures of Na8MgMn2O8 are reported across 2 databases, spanning 1 distinct space group.
What elements does Na8MgMn2O8 contain?
Na8MgMn2O8 contains Mg, Mn, Na, and O (4 elements).
Where does the data for Na8MgMn2O8 come from?
Na8MgMn2O8 data is cross-referenced from materials_project, mpaloe.
Explore
Related Compounds
Other Layered Sodium Transition-Metal Oxides 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.
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