Mg4Nb2O9
Mg4Nb2O9 is a thermodynamically stable magnesium niobate oxide that functions as a wide-band-gap insulator.
About Mg4Nb2O9
Mg4Nb2O9 is a complex magnesium niobate oxide characterized by its insulating electronic nature and high thermodynamic stability. As a compound residing on the convex hull, it exhibits a robust structural framework that makes it a subject of interest for fundamental materials research.
Its wide-band-gap profile suggests utility in applications requiring stable dielectric performance. The existence of multiple reported structural phases highlights the material's versatility and the importance of precise synthesis conditions in defining its physical properties.
Key Properties
Cross-validated computational properties for Mg4Nb2O9, 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.
Reported Structures
Lowest-energy structures reported for Mg4Nb2O9, 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. |
|---|---|---|---|---|---|
| P-3c1 (No. 165) | trigonal | 3.42 | 0.0000 | -7.842 | 4.35 |
| P-3c1 (No. 165) | Trigonal | — | — | — | 4.22 |
| P-3c1 (No. 165) | Trigonal | — | — | — | 4.42 |
| P-3c1 (No. 165) | Trigonal | — | — | — | 4.31 |
| P-3c1 (No. 165) | — | — | — | — | — |
Applications
Where Mg4Nb2O9 is used.
Frequently Asked Questions
Common questions about Mg4Nb2O9, answered from cross-validated data.
What is Mg4Nb2O9?
Mg4Nb2O9 is a thermodynamically stable magnesium niobate oxide that functions as a wide-band-gap insulator.
What is Mg4Nb2O9 used for?
What is the band gap of Mg4Nb2O9?
Is Mg4Nb2O9 a metal, semiconductor, or insulator?
Is Mg4Nb2O9 thermodynamically stable?
What is the crystal structure of Mg4Nb2O9?
What is the density of Mg4Nb2O9?
How many polymorphs of Mg4Nb2O9 are known?
What elements does Mg4Nb2O9 contain?
Where does the data for Mg4Nb2O9 come from?
How It Compares
As a stable magnesium niobate, Mg4Nb2O9 serves as a foundational example of this oxide class, providing a benchmark for structural integrity and insulating behavior in complex ternary systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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