Na4MgV2O6
This compound is a complex oxide containing sodium, magnesium, and vanadium. It is primarily studied for its structural properties and potential utility in advanced electrochemical energy storage systems.
MgNaOV
Overview
Key Properties
Cross-validated computational properties for Na4MgV2O6, 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.
0.36–1.97 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.
0.122 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.
14
2 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Na4MgV2O6, 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 | 1.27 | 0.1221 | -6.355 | 3.10 |
| P1 (No. 1) | triclinic | 0.36 | 0.1698 | -6.308 | 2.69 |
| Cm (No. 8) | monoclinic | 1.07 | 0.1928 | -6.285 | 2.98 |
| P-1 (No. 2) | triclinic | 1.81 | 0.2077 | -6.270 | 3.53 |
| Cm (No. 8) | monoclinic | 1.97 | 0.2242 | -6.253 | 3.54 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.98 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.19 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.11 |
| P1 (No. 1) | Triclinic | — | — | — | 2.69 |
| P1 (No. 1) | Triclinic | — | — | — | 2.88 |
| P1 (No. 1) | Triclinic | — | — | — | 2.82 |
| P1 (No. 1) | Triclinic | — | — | — | 3.24 |
Uses
Applications
Where Na4MgV2O6 is used.
Battery electrode researchSolid-state ion conductorsMaterials science research
Reference
Frequently Asked Questions
Common questions about Na4MgV2O6, answered from cross-validated data.
What is Na4MgV2O6?
This compound is a complex oxide containing sodium, magnesium, and vanadium. It is primarily studied for its structural properties and potential utility in advanced electrochemical energy storage systems.
More questions
What is Na4MgV2O6 used for?
Na4MgV2O6 is used in battery electrode research, solid-state ion conductors, and materials science research.
What is the band gap of Na4MgV2O6?
Na4MgV2O6 has a DFT-computed band gap of 0.36–1.97 eV across 14 reported structures.
Is Na4MgV2O6 a metal, semiconductor, or insulator?
With a band gap up to 1.97 eV it is a semiconductor.
Is Na4MgV2O6 thermodynamically stable?
Na4MgV2O6 has a lowest energy above hull of 0.122 eV/atom (above hull).
What is the crystal structure of Na4MgV2O6?
The lowest-energy reported polymorph of Na4MgV2O6 is triclinic symmetry, space group P1 (No. 1).
What is the density of Na4MgV2O6?
The computed density of the ground-state structure of Na4MgV2O6 is 3.10 g/cm³.
How many polymorphs of Na4MgV2O6 are known?
14 structures of Na4MgV2O6 are reported across 2 databases, spanning 3 distinct space groups.
What elements does Na4MgV2O6 contain?
Na4MgV2O6 contains Mg, Na, O, and V (4 elements).
Where does the data for Na4MgV2O6 come from?
Na4MgV2O6 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.
Analyze Na4MgV2O6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →