MgV4O8
MgV4O8 is a metastable semiconducting ternary oxide containing magnesium and vanadium.
About MgV4O8
MgV4O8 is a complex oxide composed of magnesium, vanadium, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple insulating oxides, making it a subject of interest for fundamental solid-state studies.
Because this compound is metastable, it represents a specialized phase that requires precise synthetic control. Its existence within a diverse landscape of vanadium-based oxides highlights the structural flexibility of these transition metal systems in forming intricate atomic arrangements.
Key Properties
Cross-validated computational properties for MgV4O8, aggregated across 2 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 MgV4O8, 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. |
|---|---|---|---|---|---|
| Imm2 (No. 44) | orthorhombic | 1.27 | 0.0818 | -8.505 | 3.85 |
| Pm (No. 6) | monoclinic | 0.93 | 0.0825 | -8.505 | 4.04 |
| P1 (No. 1) | triclinic | 0.74 | 0.0890 | -8.498 | 4.07 |
| P1 (No. 1) | triclinic | 1.04 | 0.0899 | -8.497 | 3.85 |
| C2/m (No. 12) | monoclinic | 0.78 | 0.0940 | -8.493 | 4.09 |
| Cm (No. 8) | monoclinic | 0.61 | 0.0957 | -8.492 | 3.75 |
| C2/m (No. 12) | monoclinic | 0.91 | 0.1332 | -8.454 | 3.89 |
| Cm (No. 8) | monoclinic | 0.57 | 0.1372 | -8.450 | 3.79 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1442 | -8.443 | 3.90 |
| Amm2 (No. 38) | orthorhombic | 0.43 | 0.1474 | -8.440 | 4.16 |
| C2/m (No. 12) | monoclinic | 0.47 | 0.1672 | -8.420 | 3.99 |
| C2 (No. 5) | monoclinic | 0.72 | 0.1792 | -8.408 | 3.71 |
Frequently Asked Questions
Common questions about MgV4O8, answered from cross-validated data.
What is MgV4O8?
MgV4O8 is a metastable semiconducting ternary oxide containing magnesium and vanadium.
What is the band gap of MgV4O8?
Is MgV4O8 a metal, semiconductor, or insulator?
Is MgV4O8 thermodynamically stable?
What is the crystal structure of MgV4O8?
What is the density of MgV4O8?
How many polymorphs of MgV4O8 are known?
What elements does MgV4O8 contain?
Where does the data for MgV4O8 come from?
How It Compares
As a unique vanadium-based oxide, MgV4O8 occupies a distinct niche in materials science. While many binary oxides are highly stable, this compound demonstrates the complex phase behavior often found in ternary systems where the interplay between magnesium and vanadium cations dictates its specific structural and electronic identity.
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).
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