Mg2V2O7
Mg2V2O7 is a stable, insulating magnesium vanadium oxide that exhibits multiple structural phases.
About Mg2V2O7
Mg2V2O7 is a thermodynamically stable oxide that exists on the convex hull, indicating significant structural robustness. As a wide-gap insulating material, it possesses electronic properties characteristic of stable metal vanadates, making it a subject of interest for fundamental solid-state research.
Its chemical composition allows for diverse structural arrangements, as evidenced by the multiple reported phases identified in crystallographic databases. This versatility in atomic configuration is key to understanding how magnesium-vanadium oxides behave under varying environmental conditions.
Key Properties
Cross-validated computational properties for Mg2V2O7, 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 Mg2V2O7, 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 | 2.71 | 0.0000 | -7.772 | 3.28 |
| P21/c (No. 14) | monoclinic | 3.14 | 0.0013 | -7.771 | 3.22 |
| No. 0 | unknown | — | — | — | 1.63 |
| No. 0 | unknown | — | — | — | 0.84 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.40 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.22 |
Applications
Where Mg2V2O7 is used.
Frequently Asked Questions
Common questions about Mg2V2O7, answered from cross-validated data.
What is Mg2V2O7?
Mg2V2O7 is a stable, insulating magnesium vanadium oxide that exhibits multiple structural phases.
What is Mg2V2O7 used for?
What is the band gap of Mg2V2O7?
Is Mg2V2O7 a metal, semiconductor, or insulator?
Is Mg2V2O7 thermodynamically stable?
What is the crystal structure of Mg2V2O7?
What is the density of Mg2V2O7?
How many polymorphs of Mg2V2O7 are known?
What elements does Mg2V2O7 contain?
Where does the data for Mg2V2O7 come from?
How It Compares
As a stable member of the magnesium-vanadium-oxygen system, Mg2V2O7 serves as a foundational reference point for understanding the phase stability and insulating behavior of complex ternary oxides in this chemical family.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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