MgV4O10
MgV4O10 is a metastable semiconducting magnesium vanadium oxide studied for its potential utility in electrochemical energy storage.
About MgV4O10
MgV4O10 is a complex magnesium vanadium oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement within the vanadium-based oxide family, offering distinct pathways for ion transport and chemical reactivity.
Its significance lies in its structural flexibility, which researchers investigate for potential use in energy storage systems. The material is characterized by a rich structural landscape, supported by multiple reported configurations that highlight its versatility as a functional inorganic compound.
Key Properties
Cross-validated computational properties for MgV4O10, 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 MgV4O10, 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-1 (No. 2) | triclinic | 1.52 | 0.0334 | -8.321 | 3.35 |
| Amm2 (No. 38) | orthorhombic | 1.08 | 0.0686 | -8.286 | 3.00 |
| P1 (No. 1) | triclinic | 2.05 | 0.0708 | -8.284 | 2.43 |
| P-1 (No. 2) | triclinic | 2.06 | 0.0816 | -8.273 | 2.83 |
| Pm (No. 6) | monoclinic | 0.77 | 0.0857 | -8.269 | 3.45 |
| Pmm2 (No. 25) | orthorhombic | 0.94 | 0.1021 | -8.253 | 3.17 |
| Pm (No. 6) | monoclinic | 0.79 | 0.1043 | -8.250 | 3.55 |
| Pm (No. 6) | monoclinic | 1.05 | 0.1137 | -8.241 | 3.36 |
| P1 (No. 1) | triclinic | 1.07 | 0.1353 | -8.219 | 4.05 |
| P1 (No. 1) | triclinic | 1.10 | 0.1679 | -8.187 | 2.46 |
| Pm (No. 6) | monoclinic | 0.00 | 0.2522 | -8.103 | 3.04 |
| Amm2 (No. 38) | — | — | — | — | — |
Applications
Where MgV4O10 is used.
Frequently Asked Questions
Common questions about MgV4O10, answered from cross-validated data.
What is MgV4O10?
MgV4O10 is a metastable semiconducting magnesium vanadium oxide studied for its potential utility in electrochemical energy storage.
What is MgV4O10 used for?
What is the band gap of MgV4O10?
Is MgV4O10 a metal, semiconductor, or insulator?
Is MgV4O10 thermodynamically stable?
What is the crystal structure of MgV4O10?
What is the density of MgV4O10?
How many polymorphs of MgV4O10 are known?
What elements does MgV4O10 contain?
Where does the data for MgV4O10 come from?
How It Compares
As a member of the vanadium oxide family, MgV4O10 serves as a specialized example of how magnesium incorporation can modify the electronic and structural properties of transition metal oxides. It functions as a distinct metastable alternative to more common binary vanadium oxides, providing a unique platform for studying the interplay between cation intercalation and semiconducting behavior.
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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