MgV4P2O13
MgV4P2O13 is a semiconducting transition-metal phosphate compound that exists as a metastable phase within a complex structural family.
About MgV4P2O13
MgV4P2O13 is a complex transition-metal phosphate characterized by its semiconducting electronic nature. As a member of the phosphate family, it features a structural framework that integrates magnesium and vanadium within an oxygen-phosphorus network, reflecting the structural diversity common to this chemical class. Despite its structural complexity, the compound is identified as being above the thermodynamic hull, suggesting it is a metastable phase. Its existence across multiple reported structures highlights the ongoing interest in exploring the phase space of vanadium-based phosphates for potential functional applications.
Key Properties
Cross-validated computational properties for MgV4P2O13, 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.
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 MgV4P2O13, 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 | 1.21 | 0.1076 | -8.259 | 3.69 |
| P1 (No. 1) | triclinic | 0.67 | 0.1411 | -8.226 | 3.25 |
| P1 (No. 1) | triclinic | 1.37 | 0.1676 | -8.199 | 3.48 |
| P1 (No. 1) | triclinic | 0.96 | 0.2027 | -8.164 | 3.44 |
| P1 (No. 1) | Triclinic | — | — | — | 3.44 |
| P1 (No. 1) | Triclinic | — | — | — | 3.77 |
| P1 (No. 1) | Triclinic | — | — | — | 3.56 |
| P1 (No. 1) | Triclinic | — | — | — | 3.69 |
| P1 (No. 1) | Triclinic | — | — | — | 4.05 |
| P1 (No. 1) | Triclinic | — | — | — | 3.82 |
| P1 (No. 1) | Triclinic | — | — | — | 3.48 |
| P1 (No. 1) | Triclinic | — | — | — | 3.80 |
Applications
Where MgV4P2O13 is used.
Frequently Asked Questions
Common questions about MgV4P2O13, answered from cross-validated data.
What is MgV4P2O13?
MgV4P2O13 is a semiconducting transition-metal phosphate compound that exists as a metastable phase within a complex structural family.
What is MgV4P2O13 used for?
What is the band gap of MgV4P2O13?
Is MgV4P2O13 a metal, semiconductor, or insulator?
Is MgV4P2O13 thermodynamically stable?
What is the crystal structure of MgV4P2O13?
What is the density of MgV4P2O13?
How many polymorphs of MgV4P2O13 are known?
What elements does MgV4P2O13 contain?
Where does the data for MgV4P2O13 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the highly stable and widely utilized olivine-structured materials such as LiFePO4 or LiMnPO4, which are cornerstones of battery technology, MgV4P2O13 represents a more exotic and less thermodynamically favored member of the transition-metal phosphate group. While siblings like LiFeP2O7 are frequently studied for their electrochemical properties, this magnesium-vanadium variant occupies a more niche position due to its metastability.
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.
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