KO8PV2
KO8PV2 is a thermodynamically stable semiconducting transition-metal phosphate utilized in materials science research.
About KO8PV2
KO8PV2 is a complex transition-metal phosphate characterized by its semiconducting electronic nature. As a material that sits on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural and electrochemical investigations within the phosphate family.
Its unique composition of potassium, oxygen, phosphorus, and vanadium allows for diverse coordination environments. This stability is essential for its potential integration into functional devices where structural integrity under varying conditions is a primary requirement.
Key Properties
Cross-validated computational properties for KO8PV2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of KO8PV2. 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 KO8PV2, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 2.24 | 0.0000 | -7.852 | 2.87 |
| P-1 (No. 2) | triclinic | 2.24 | 0.0015 | -7.851 | 2.89 |
| No. 0 | unknown | — | — | — | 1.51 |
| — | — | — | — | — | — |
Applications
Where KO8PV2 is used.
Frequently Asked Questions
Common questions about KO8PV2, answered from cross-validated data.
What is KO8PV2?
KO8PV2 is a thermodynamically stable semiconducting transition-metal phosphate utilized in materials science research.
What is KO8PV2 used for?
What is the band gap of KO8PV2?
Is KO8PV2 a metal, semiconductor, or insulator?
Is KO8PV2 thermodynamically stable?
What is the crystal structure of KO8PV2?
What is the density of KO8PV2?
How many polymorphs of KO8PV2 are known?
What elements does KO8PV2 contain?
Where does the data for KO8PV2 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the widely utilized lithium-ion battery cathode materials such as LiFePO4 or LiMnPO4, which are primarily studied for their reversible ion-intercalation properties, KO8PV2 represents a distinct structural arrangement within the broader class of transition-metal phosphates. While siblings like LiFeP2O7 or TiP2O7 often focus on specific polyanionic frameworks for ion transport, KO8PV2 offers a unique vanadium-based architecture that differentiates it from the iron and cobalt-based counterparts.
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).
- alexandria — Data from alexandria.
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