Mg3V2O8
Mg3V2O8 is a thermodynamically stable insulating magnesium vanadate oxide used in solid-state materials research.
About Mg3V2O8
Magnesium orthovanadate is a robust, thermodynamically stable inorganic oxide that sits firmly on the convex hull. Its electronic character as a wide-gap insulator makes it an intriguing candidate for specialized dielectric or optical applications where stable, non-conductive oxide frameworks are required.
With multiple reported structures across major materials databases, this compound demonstrates significant structural versatility. Its ability to maintain stability across various configurations underscores its potential utility in complex material systems and fundamental solid-state research.
Key Properties
Cross-validated computational properties for Mg3V2O8, 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 Mg3V2O8, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 3.34 | 0.0000 | -7.572 | 3.51 |
| R-3m (No. 166) | trigonal | 3.37 | 0.0188 | -7.553 | 3.53 |
| Cmce (No. 64) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 3.37 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.35 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.64 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.46 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.62 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.45 |
Applications
Where Mg3V2O8 is used.
Frequently Asked Questions
Common questions about Mg3V2O8, answered from cross-validated data.
What is Mg3V2O8?
Mg3V2O8 is a thermodynamically stable insulating magnesium vanadate oxide used in solid-state materials research.
What is Mg3V2O8 used for?
What is the band gap of Mg3V2O8?
Is Mg3V2O8 a metal, semiconductor, or insulator?
Is Mg3V2O8 thermodynamically stable?
What is the crystal structure of Mg3V2O8?
What is the density of Mg3V2O8?
How many polymorphs of Mg3V2O8 are known?
What elements does Mg3V2O8 contain?
Where does the data for Mg3V2O8 come from?
How It Compares
As a stable oxide phase, Mg3V2O8 serves as a foundational example of magnesium-based vanadates, providing a benchmark for structural integrity and insulating behavior within its chemical family.
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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