VCdPO7
VCdPO7 is a semiconducting transition-metal phosphate containing vanadium and cadmium that exists in a metastable state.
About VCdPO7
VCdPO7 is a complex transition-metal phosphate incorporating vanadium and cadmium. As a semiconducting material, it represents a specialized chemical architecture within the broader family of phosphate-based compounds, characterized by its distinct arrangement of metal-oxygen polyhedra and phosphate groups.
While transition-metal phosphates are frequently investigated for their electrochemical potential, VCdPO7 sits in a metastable state above the thermodynamic hull. This positioning suggests unique synthetic challenges and potential for structural transformation, distinguishing it from more common, highly stable phosphate frameworks.
Key Properties
Cross-validated computational properties for VCdPO7, 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 VCdPO7, 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 (No. 4) | monoclinic | 0.47 | 0.1721 | -6.934 | 3.68 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.68 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.96 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.76 |
| P21 (No. 4) | monoclinic | — | — | — | 1.93 |
Frequently Asked Questions
Common questions about VCdPO7, answered from cross-validated data.
What is VCdPO7?
VCdPO7 is a semiconducting transition-metal phosphate containing vanadium and cadmium that exists in a metastable state.
What is the band gap of VCdPO7?
Is VCdPO7 a metal, semiconductor, or insulator?
Is VCdPO7 thermodynamically stable?
What is the crystal structure of VCdPO7?
What is the density of VCdPO7?
How many polymorphs of VCdPO7 are known?
What elements does VCdPO7 contain?
Where does the data for VCdPO7 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the widely utilized and thermodynamically robust battery materials such as LiFePO4 or LiMnPO4, which are prized for their structural stability during ion intercalation, VCdPO7 exhibits a higher energy state. While compounds like TiP2O7 or LiFeP2O7 are often studied for their stable framework architectures, VCdPO7 represents a more exotic member of the class, offering a different structural landscape that contrasts with the well-ordered, stable olivine or pyrophosphate structures found in its more common siblings.
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.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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