MgV2O5
Magnesium vanadium oxide is a mixed-metal oxide material studied for its electrochemical properties. It is primarily investigated for its potential role as an electrode material in advanced energy storage devices.
MgOV
Overview
Key Properties
Cross-validated computational properties for MgV2O5, 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.
2.11–2.31 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.
0.042 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgV2O5, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 2.31 | 0.0420 | -8.202 | 3.22 |
| Pmmn (No. 59) | orthorhombic | 2.11 | 0.1170 | -8.127 | 3.51 |
| Cmcm (No. 63) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.53 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.22 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.30 |
Uses
Applications
Where MgV2O5 is used.
Battery electrode researchEnergy storage materials developmentSolid-state ionics
Reference
Frequently Asked Questions
Common questions about MgV2O5, answered from cross-validated data.
What is MgV2O5?
Magnesium vanadium oxide is a mixed-metal oxide material studied for its electrochemical properties. It is primarily investigated for its potential role as an electrode material in advanced energy storage devices.
What is MgV2O5 used for?
MgV2O5 is used in battery electrode research, energy storage materials development, and solid-state ionics.
What is the band gap of MgV2O5?
MgV2O5 has a DFT-computed band gap of 2.11–2.31 eV across 7 reported structures.
Is MgV2O5 a metal, semiconductor, or insulator?
With a band gap up to 2.31 eV it is a semiconductor.
Is MgV2O5 thermodynamically stable?
MgV2O5 has a lowest energy above hull of 0.042 eV/atom (metastable).
What is the crystal structure of MgV2O5?
The lowest-energy reported polymorph of MgV2O5 is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of MgV2O5?
The computed density of the ground-state structure of MgV2O5 is 3.22 g/cm³.
How many polymorphs of MgV2O5 are known?
7 structures of MgV2O5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does MgV2O5 contain?
MgV2O5 contains Mg, O, and V (3 elements).
Where does the data for MgV2O5 come from?
MgV2O5 data is cross-referenced from materials_project, jarvis, mpaloe.
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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