MgV5O12
MgV5O12 is a metastable semiconducting oxide containing magnesium and vanadium that is primarily studied for its complex structural characteristics.
About MgV5O12
MgV5O12 is a complex ternary oxide composed of magnesium, vanadium, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental studies in solid-state chemistry and materials science.
Because this compound is classified as metastable, it represents a unique phase that requires specific synthesis conditions to stabilize. Its structural diversity is highlighted by numerous reported configurations, reflecting the intricate coordination environments possible within the magnesium-vanadium-oxygen system.
Key Properties
Cross-validated computational properties for MgV5O12, 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 MgV5O12, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.11 | 0.0644 | -8.373 | 3.05 |
| P1 (No. 1) | triclinic | 1.21 | 0.0892 | -8.348 | 3.91 |
| P1 (No. 1) | triclinic | 1.25 | 0.1137 | -8.323 | 3.13 |
| P1 (No. 1) | triclinic | 1.26 | 0.1141 | -8.323 | 3.88 |
| P1 (No. 1) | triclinic | 1.40 | 0.1142 | -8.323 | 3.68 |
| P1 (No. 1) | triclinic | 1.36 | 0.1143 | -8.323 | 3.55 |
| P1 (No. 1) | triclinic | 0.91 | 0.1193 | -8.318 | 3.87 |
| P1 (No. 1) | triclinic | 1.08 | 0.1310 | -8.306 | 3.82 |
| P1 (No. 1) | triclinic | 1.43 | 0.1432 | -8.294 | 3.58 |
| C2 (No. 5) | monoclinic | 0.59 | 0.1573 | -8.280 | 3.07 |
| P1 (No. 1) | Triclinic | — | — | — | 3.05 |
| P1 (No. 1) | Triclinic | — | — | — | 3.38 |
Applications
Where MgV5O12 is used.
Frequently Asked Questions
Common questions about MgV5O12, answered from cross-validated data.
What is MgV5O12?
MgV5O12 is a metastable semiconducting oxide containing magnesium and vanadium that is primarily studied for its complex structural characteristics.
What is MgV5O12 used for?
What is the band gap of MgV5O12?
Is MgV5O12 a metal, semiconductor, or insulator?
Is MgV5O12 thermodynamically stable?
What is the crystal structure of MgV5O12?
What is the density of MgV5O12?
How many polymorphs of MgV5O12 are known?
What elements does MgV5O12 contain?
Where does the data for MgV5O12 come from?
How It Compares
As a member of the magnesium-vanadium-oxide family, MgV5O12 occupies a distinct position due to its specific stoichiometry and metastable nature. While many simple binary oxides in this class are highly stable, this compound demonstrates the complexity inherent in multi-component vanadium-based systems, offering a unique electronic profile that sets it apart from more common, stable mineral-like phases.
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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