O3P1V1
vanadium(III) phosphate · VPO3
Vanadium(III) phosphate is a stable semiconducting transition-metal compound utilized in advanced materials research.
About vanadium(III) phosphate
Vanadium(III) phosphate is a robust transition-metal phosphate that sits firmly on the convex hull, indicating high thermodynamic stability. As a semiconducting material, it offers unique electronic properties that make it a subject of significant interest for structural and functional studies in inorganic chemistry.
Its structural versatility is evidenced by the large number of reported configurations found in materials databases. This adaptability allows it to serve as a foundational component in the development of sophisticated electronic and energy-related materials, leveraging the redox flexibility of vanadium within a phosphate framework.
Key Properties
Cross-validated computational properties for vanadium(III) phosphate, 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 O3P1V1, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 2.18 | 0.0000 | -8.027 | 3.54 |
| Cc (No. 9) | monoclinic | 0.00 | 0.0057 | -8.021 | 3.48 |
| Pbcn (No. 60) | orthorhombic | 1.65 | 0.0089 | -7.846 | 2.95 |
| P212121 (No. 19) | orthorhombic | 2.25 | 0.0151 | -8.012 | 3.50 |
| P21 (No. 4) | monoclinic | 1.78 | 0.0169 | -7.838 | 3.01 |
| C2/m (No. 12) | monoclinic | 1.57 | 0.0225 | -7.832 | 2.79 |
| P212121 (No. 19) | orthorhombic | 2.33 | 0.0251 | -8.002 | 3.41 |
| C2/c (No. 15) | monoclinic | 1.55 | 0.0266 | -7.828 | 3.39 |
| C2/c (No. 15) | monoclinic | 1.51 | 0.0271 | -7.828 | 2.92 |
| C2/c (No. 15) | monoclinic | 1.28 | 0.0375 | -7.817 | 3.28 |
| C2/c (No. 15) | monoclinic | 1.25 | 0.0408 | -7.814 | 3.37 |
| C2/c (No. 15) | monoclinic | 1.15 | 0.0416 | -7.813 | 3.19 |
Applications
Where vanadium(III) phosphate is used.
Frequently Asked Questions
Common questions about vanadium(III) phosphate, answered from cross-validated data.
What is O3P1V1?
Vanadium(III) phosphate is a stable semiconducting transition-metal compound utilized in advanced materials research.
What is O3P1V1 used for?
What is the band gap of O3P1V1?
Is O3P1V1 a metal, semiconductor, or insulator?
Is O3P1V1 thermodynamically stable?
What is the crystal structure of O3P1V1?
What is the density of O3P1V1?
How many polymorphs of O3P1V1 are known?
What elements does O3P1V1 contain?
Where does the data for O3P1V1 come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse family of transition-metal phosphates, O3P1V1 occupies a distinct position compared to common battery materials like LiFePO4 or LiCoPO4. While those lithium-containing siblings are primarily optimized for ion mobility in energy storage, O3P1V1 is valued for its intrinsic stability and structural complexity, distinguishing it from simpler pyrophosphates like TiP2O7.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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