MgVP2O7
MgVP2O7 is a semiconducting transition-metal phosphate that shows promise for synthesis and application in advanced energy storage technologies.
About MgVP2O7
MgVP2O7 is a transition-metal phosphate characterized by its semiconducting electronic structure. Its status as a near-hull material suggests it is a viable candidate for experimental synthesis and structural investigation within the broader family of phosphate-based frameworks. The material's balanced composition makes it an intriguing subject for researchers exploring stable, redox-active inorganic systems. It is primarily studied for its potential utility in electrochemical applications where structural integrity and electronic properties are critical for performance. By leveraging the versatility of the phosphate anion, this compound serves as a platform for understanding how transition metals like vanadium influence the stability and charge transport characteristics of complex oxides.
Key Properties
Cross-validated computational properties for MgVP2O7, 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 MgVP2O7, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.81 | 0.0104 | -7.894 | 3.23 |
| P-1 (No. 2) | triclinic | 2.03 | 0.0210 | -7.884 | 3.32 |
| C2 (No. 5) | monoclinic | 2.97 | 0.0266 | -7.878 | 3.31 |
| P-1 (No. 2) | triclinic | 2.82 | 0.0459 | -7.859 | 3.26 |
| C2 (No. 5) | monoclinic | 2.43 | 0.1339 | -7.771 | 3.12 |
| P1 (No. 1) | triclinic | 2.92 | 0.1340 | -7.771 | 2.96 |
| C2 (No. 5) | monoclinic | 2.12 | 0.2512 | -7.654 | 2.97 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.19 |
| P1 (No. 1) | Triclinic | — | — | — | 3.03 |
| P1 (No. 1) | Triclinic | — | — | — | 3.19 |
| P1 (No. 1) | Triclinic | — | — | — | 2.96 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.31 |
Applications
Where MgVP2O7 is used.
Frequently Asked Questions
Common questions about MgVP2O7, answered from cross-validated data.
What is MgVP2O7?
MgVP2O7 is a semiconducting transition-metal phosphate that shows promise for synthesis and application in advanced energy storage technologies.
What is MgVP2O7 used for?
What is the band gap of MgVP2O7?
Is MgVP2O7 a metal, semiconductor, or insulator?
Is MgVP2O7 thermodynamically stable?
What is the crystal structure of MgVP2O7?
What is the density of MgVP2O7?
How many polymorphs of MgVP2O7 are known?
What elements does MgVP2O7 contain?
Where does the data for MgVP2O7 come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse class of transition-metal phosphates, MgVP2O7 occupies a distinct niche compared to well-known battery materials like LiFePO4 or LiMnPO4. While its siblings are often optimized for specific lithium-ion insertion pathways, MgVP2O7 represents a more exploratory phase that bridges the gap between simple orthophosphates and more complex pyrophosphate architectures such as TiP2O7 or LiFeP2O7, offering a unique structural motif for future materials design.
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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