K2O6PV
K2O6PV is a stable, insulating transition-metal phosphate compound used in structural and electrochemical materials research.
About K2O6PV
K2O6PV is a complex transition-metal phosphate characterized by its insulating electronic nature and high thermodynamic stability. As a member of the phosphate family, it maintains a robust structural framework that is well-represented across multiple crystallographic databases, reflecting its significance in solid-state chemistry.
Its stable configuration makes it a compelling candidate for fundamental studies in materials science. Researchers investigate this compound to understand how the integration of potassium and vanadium within a phosphate lattice influences ionic transport and structural integrity in various electrochemical environments.
Key Properties
Cross-validated computational properties for K2O6PV, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of K2O6PV. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for K2O6PV, 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 | 3.37 | 0.0000 | -7.217 | 2.48 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | — |
| P21/c (No. 14) | monoclinic | — | — | — | 0.66 |
Applications
Where K2O6PV is used.
Frequently Asked Questions
Common questions about K2O6PV, answered from cross-validated data.
What is K2O6PV?
K2O6PV is a stable, insulating transition-metal phosphate compound used in structural and electrochemical materials research.
What is K2O6PV used for?
What is the band gap of K2O6PV?
Is K2O6PV a metal, semiconductor, or insulator?
Is K2O6PV thermodynamically stable?
What is the crystal structure of K2O6PV?
What is the density of K2O6PV?
How many polymorphs of K2O6PV are known?
What elements does K2O6PV contain?
Where does the data for K2O6PV come from?
How It Compares
Within the transition-metal phosphates class.
Within the broader class of transition-metal phosphates, K2O6PV occupies a distinct niche compared to well-known battery materials like LiFePO4 or LiMnPO4. While its siblings are frequently utilized for their favorable lithium-ion intercalation properties, K2O6PV serves as a structural reference point for exploring the stability of phosphate frameworks when incorporating larger alkali cations like potassium.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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