MgMn6Nb4O18
MgMn6Nb4O18 is a metastable, semiconducting complex oxide composed of magnesium, manganese, niobium, and oxygen.
About MgMn6Nb4O18
MgMn6Nb4O18 is a complex oxide featuring magnesium, manganese, and niobium. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating transition metal oxides with potential functional applications. The compound is characterized as metastable, reflecting a delicate balance in its atomic arrangement. Its existence across multiple structural configurations highlights its versatility and the complexity of its phase space within the broader landscape of inorganic oxides.
Key Properties
Cross-validated computational properties for MgMn6Nb4O18, 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.
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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MgMn6Nb4O18. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for MgMn6Nb4O18, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for MgMn6Nb4O18, 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. |
|---|---|---|---|---|---|
| P3 (No. 143) | trigonal | 0.02 | 0.0674 | -8.980 | 4.73 |
| P3 (No. 143) | trigonal | 0.36 | 0.0846 | -8.962 | 4.68 |
| P1 (No. 1) | triclinic | 0.37 | 0.1218 | -8.925 | 4.55 |
| P1 (No. 1) | triclinic | 0.88 | 0.1277 | -8.919 | 4.39 |
| P1 (No. 1) | triclinic | 0.58 | 0.1305 | -8.917 | 4.48 |
| P1 (No. 1) | triclinic | 0.90 | 0.1451 | -8.902 | 4.36 |
| P1 (No. 1) | triclinic | 0.94 | 0.1528 | -8.894 | 4.30 |
| P1 (No. 1) | triclinic | — | — | — | 4.51 |
| — | — | — | — | — | 4.36 |
| P1 (No. 1) | triclinic | — | — | — | 4.48 |
| P1 (No. 1) | triclinic | — | — | — | 4.65 |
| P1 (No. 1) | triclinic | — | — | — | 4.58 |
Applications
Where MgMn6Nb4O18 is used.
Frequently Asked Questions
Common questions about MgMn6Nb4O18, answered from cross-validated data.
What is MgMn6Nb4O18?
MgMn6Nb4O18 is a metastable, semiconducting complex oxide composed of magnesium, manganese, niobium, and oxygen.
What is MgMn6Nb4O18 used for?
What is the band gap of MgMn6Nb4O18?
Is MgMn6Nb4O18 a metal, semiconductor, or insulator?
Is MgMn6Nb4O18 thermodynamically stable?
What is the crystal structure of MgMn6Nb4O18?
What is the density of MgMn6Nb4O18?
How many polymorphs of MgMn6Nb4O18 are known?
What elements does MgMn6Nb4O18 contain?
Where does the data for MgMn6Nb4O18 come from?
How It Compares
As a member of the complex oxide family, MgMn6Nb4O18 represents a specialized structural configuration. While it does not share its class with other common binary or ternary oxides, its unique composition allows it to serve as a distinct model for studying the interplay between niobium and manganese in an oxygen-rich lattice.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)
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