V4P2O13
V4P2O13 is a metastable semiconducting transition-metal phosphate used primarily in materials research to explore complex vanadium-phosphorus-oxygen frameworks.
About V4P2O13
V4P2O13 is a semiconducting transition-metal phosphate characterized by its complex structural arrangements. As a metastable phase, it represents a specialized configuration within the vanadium-phosphorus-oxygen system, offering researchers insights into the structural diversity of metal phosphates. Its electronic nature makes it a subject of interest for fundamental studies in solid-state chemistry. Beyond its theoretical significance, this compound is investigated for its potential role in electrochemical or catalytic applications where specific oxidation states of vanadium are required. It serves as a model for understanding how phosphorus-oxygen frameworks stabilize transition metal centers in non-equilibrium states.
Key Properties
Cross-validated computational properties for V4P2O13, 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 V4P2O13, 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 | 1.44 | 0.0390 | -8.406 | 3.92 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.10 |
| P1 (No. 1) | Triclinic | — | — | — | 3.71 |
| P1 (No. 1) | Triclinic | — | — | — | 3.83 |
Applications
Where V4P2O13 is used.
Frequently Asked Questions
Common questions about V4P2O13, answered from cross-validated data.
What is V4P2O13?
V4P2O13 is a metastable semiconducting transition-metal phosphate used primarily in materials research to explore complex vanadium-phosphorus-oxygen frameworks.
What is V4P2O13 used for?
What is the band gap of V4P2O13?
Is V4P2O13 a metal, semiconductor, or insulator?
Is V4P2O13 thermodynamically stable?
What is the crystal structure of V4P2O13?
What is the density of V4P2O13?
How many polymorphs of V4P2O13 are known?
What elements does V4P2O13 contain?
Where does the data for V4P2O13 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the well-known, highly stable olivine-structured battery materials such as LiFePO4 or LiMnPO4, V4P2O13 exists as a metastable phase. While its siblings like TiP2O7 or LiFeP2O7 are often studied for their robust framework stability in energy storage, V4P2O13 offers a distinct structural motif that highlights the broader compositional flexibility of transition-metal phosphates.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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