MgV3FeO8

MgV3FeO8 is a complex semiconducting oxide that belongs to the spinel and hexagonal ferrite material class.

Crystal structure of MgV3FeO8 (monoclinic, Cm (No. 8))
Ground-state structure · Materials Project
Overview

About MgV3FeO8

MgV3FeO8 is a complex oxide belonging to the broad family of spinel and hexagonal ferrites. Characterized by its semiconducting electronic nature, this compound represents a unique intersection of magnesium, vanadium, and iron chemistry within a multi-component lattice framework. Its structural diversity is highlighted by numerous reported configurations across crystallographic databases. While it shares the fundamental building blocks of common ferrite materials, its specific composition suggests a distinct electronic environment that influences its potential behavior in solid-state systems. As a material currently identified as residing above the thermodynamic hull, it remains a subject of interest for researchers investigating metastable phases and complex oxide synthesis. Understanding its structural stability is key to determining how such compounds might be stabilized or utilized in advanced materials science applications.

At a glance

Key Properties

Cross-validated computational properties for MgV3FeO8, aggregated across 2 databases.

Band Gap

0.69–1.29 eV
Range across DFT structures

Energy Above Hull

0.158 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

18
2 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MgV3FeO8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cm (No. 8)monoclinic1.080.1585-8.2363.70
Cm (No. 8)monoclinic0.860.1590-8.2353.80
P1 (No. 1)triclinic1.260.1903-8.2042.83
P1 (No. 1)triclinic1.290.2126-8.1822.84
P1 (No. 1)triclinic0.760.2176-8.1772.87
P1 (No. 1)triclinic0.690.2258-8.1682.87
Cm (No. 8)Monoclinic3.88
P1 (No. 1)Triclinic2.83
Cm (No. 8)Monoclinic4.08
Cm (No. 8)Monoclinic3.70
Cm (No. 8)Monoclinic4.09
Cm (No. 8)Monoclinic4.40
Uses

Applications

Where MgV3FeO8 is used.

Solid-state researchMaterials science explorationComplex oxide synthesis studies
Reference

Frequently Asked Questions

Common questions about MgV3FeO8, answered from cross-validated data.

What is MgV3FeO8?

MgV3FeO8 is a complex semiconducting oxide that belongs to the spinel and hexagonal ferrite material class.

More questions
What is MgV3FeO8 used for?
MgV3FeO8 is used in solid-state research, materials science exploration, and complex oxide synthesis studies.
What is the band gap of MgV3FeO8?
MgV3FeO8 has a DFT-computed band gap of 0.69–1.29 eV across 18 reported structures.
Is MgV3FeO8 a metal, semiconductor, or insulator?
With a band gap up to 1.29 eV it is a semiconductor.
Is MgV3FeO8 thermodynamically stable?
MgV3FeO8 has a lowest energy above hull of 0.158 eV/atom (above hull).
What is the crystal structure of MgV3FeO8?
The lowest-energy reported polymorph of MgV3FeO8 is monoclinic symmetry, space group Cm (No. 8).
What is the density of MgV3FeO8?
The computed density of the ground-state structure of MgV3FeO8 is 3.70 g/cm³.
How many polymorphs of MgV3FeO8 are known?
18 structures of MgV3FeO8 are reported across 2 databases, spanning 2 distinct space groups.
What elements does MgV3FeO8 contain?
MgV3FeO8 contains Fe, Mg, O, and V (4 elements).
Where does the data for MgV3FeO8 come from?
MgV3FeO8 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

Within the spinel and hexagonal ferrites class.

Within the diverse landscape of spinel and hexagonal ferrites, MgV3FeO8 occupies a specialized niche compared to more conventional members like MgFe2O4 or ZnFe2O4. While standard ferrites are often prized for their robust thermodynamic stability and well-defined magnetic properties, MgV3FeO8 exhibits a more complex and potentially metastable profile. Unlike the widely utilized MgFe2O4, which serves as a benchmark for spinel-based magnetic materials, this vanadium-containing variant represents a more exploratory phase that challenges standard structural expectations within the ferrite class.

Explore

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).
  • mpaloe — Data from mpaloe.

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