Mg6MnNiO8
This complex oxide is a ceramic material characterized by its specific crystalline structure. It is primarily researched for its potential utility in advanced catalytic processes and as a functional component in electronic or magnetic materials.
MgMnNiO
Overview
Key Properties
Cross-validated computational properties for Mg6MnNiO8, 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.
2.89–3.08 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.
0.042 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.
9
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Mg6MnNiO8, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 3.08 | 0.0417 | -6.668 | 4.07 |
| P4/mmm (No. 123) | tetragonal | 2.89 | 0.0425 | -6.667 | 4.08 |
| — | — | — | — | — | 4.08 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.07 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.32 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.34 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.23 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.08 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.24 |
Uses
Applications
Where Mg6MnNiO8 is used.
Catalysis researchElectronic material developmentMagnetic material studies
Reference
Frequently Asked Questions
Common questions about Mg6MnNiO8, answered from cross-validated data.
What is Mg6MnNiO8?
This complex oxide is a ceramic material characterized by its specific crystalline structure. It is primarily researched for its potential utility in advanced catalytic processes and as a functional component in electronic or magnetic materials.
More questions
What is Mg6MnNiO8 used for?
Mg6MnNiO8 is used in catalysis research, electronic material development, and magnetic material studies.
What is the band gap of Mg6MnNiO8?
Mg6MnNiO8 has a DFT-computed band gap of 2.89–3.08 eV across 9 reported structures.
Is Mg6MnNiO8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.08 eV it is an insulator / wide-band-gap material.
Is Mg6MnNiO8 thermodynamically stable?
Mg6MnNiO8 has a lowest energy above hull of 0.042 eV/atom (metastable).
What is the crystal structure of Mg6MnNiO8?
The lowest-energy reported polymorph of Mg6MnNiO8 is tetragonal symmetry, space group P4/mmm (No. 123).
What is the density of Mg6MnNiO8?
The computed density of the ground-state structure of Mg6MnNiO8 is 4.07 g/cm³.
How many polymorphs of Mg6MnNiO8 are known?
9 structures of Mg6MnNiO8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Mg6MnNiO8 contain?
Mg6MnNiO8 contains Mg, Mn, Ni, and O (4 elements).
Where does the data for Mg6MnNiO8 come from?
Mg6MnNiO8 data is cross-referenced from materials_project, omat24, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
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