MgVMoO5
This compound is a complex oxide containing magnesium, vanadium, and molybdenum. It is primarily studied by materials scientists for its potential role in advanced electronic and catalytic applications.
MgMoOV
Overview
Key Properties
Cross-validated computational properties for MgVMoO5, 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.
0.81–1.41 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.
0.137 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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
2 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgVMoO5, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 1.37 | 0.1369 | -8.139 | 4.19 |
| Cm (No. 8) | monoclinic | 1.20 | 0.1394 | -8.137 | 4.37 |
| Cm (No. 8) | monoclinic | 1.41 | 0.1587 | -8.117 | 4.19 |
| P1 (No. 1) | triclinic | 0.81 | 0.2074 | -8.069 | 4.31 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.19 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.76 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.57 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.68 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.37 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.19 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.39 |
Uses
Applications
Where MgVMoO5 is used.
Materials science researchCatalysis studiesSolid-state chemistry
Reference
Frequently Asked Questions
Common questions about MgVMoO5, answered from cross-validated data.
What is MgVMoO5?
This compound is a complex oxide containing magnesium, vanadium, and molybdenum. It is primarily studied by materials scientists for its potential role in advanced electronic and catalytic applications.
More questions
What is MgVMoO5 used for?
MgVMoO5 is used in materials science research, catalysis studies, and solid-state chemistry.
What is the band gap of MgVMoO5?
MgVMoO5 has a DFT-computed band gap of 0.81–1.41 eV across 13 reported structures.
Is MgVMoO5 a metal, semiconductor, or insulator?
With a band gap up to 1.41 eV it is a semiconductor.
Is MgVMoO5 thermodynamically stable?
MgVMoO5 has a lowest energy above hull of 0.137 eV/atom (above hull).
What is the crystal structure of MgVMoO5?
The lowest-energy reported polymorph of MgVMoO5 is monoclinic symmetry, space group Cm (No. 8).
What is the density of MgVMoO5?
The computed density of the ground-state structure of MgVMoO5 is 4.19 g/cm³.
How many polymorphs of MgVMoO5 are known?
13 structures of MgVMoO5 are reported across 2 databases, spanning 2 distinct space groups.
What elements does MgVMoO5 contain?
MgVMoO5 contains Mg, Mo, O, and V (4 elements).
Where does the data for MgVMoO5 come from?
MgVMoO5 data is cross-referenced from materials_project, mpaloe.
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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