Mg2Nb2FeO8
This complex oxide is a ceramic material characterized by its specific crystalline structure. It is primarily studied for its potential roles in advanced electronic components and magnetic material research.
Overview
Key Properties
Cross-validated computational properties for Mg2Nb2FeO8, 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.
3.12 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.
0.004 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.
Near hull (likely stable)
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 Mg2Nb2FeO8, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.12 | 0.0040 | -8.347 | 4.57 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.57 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.91 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.79 |
| C2 (No. 5) | — | — | — | — | — |
Uses
Applications
Where Mg2Nb2FeO8 is used.
Materials science researchElectronic component developmentMagnetic material studies
Reference
Frequently Asked Questions
Common questions about Mg2Nb2FeO8, answered from cross-validated data.
What is Mg2Nb2FeO8?
This complex oxide is a ceramic material characterized by its specific crystalline structure. It is primarily studied for its potential roles in advanced electronic components and magnetic material research.
More questions
What is Mg2Nb2FeO8 used for?
Mg2Nb2FeO8 is used in materials science research, electronic component development, and magnetic material studies.
What is the band gap of Mg2Nb2FeO8?
Mg2Nb2FeO8 has a DFT-computed band gap of 3.12 eV across 6 reported structures.
Is Mg2Nb2FeO8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.12 eV it is an insulator / wide-band-gap material.
Is Mg2Nb2FeO8 thermodynamically stable?
Mg2Nb2FeO8 has a lowest energy above hull of 0.004 eV/atom (near hull (likely stable)).
What is the crystal structure of Mg2Nb2FeO8?
The lowest-energy reported polymorph of Mg2Nb2FeO8 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Mg2Nb2FeO8?
The computed density of the ground-state structure of Mg2Nb2FeO8 is 4.57 g/cm³.
How many polymorphs of Mg2Nb2FeO8 are known?
6 structures of Mg2Nb2FeO8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Mg2Nb2FeO8 contain?
Mg2Nb2FeO8 contains Fe, Mg, Nb, and O (4 elements).
Where does the data for Mg2Nb2FeO8 come from?
Mg2Nb2FeO8 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds
Other Spinel and Hexagonal Ferrites 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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