K2O8P2Zn2
K2O8P2Zn2 is a thermodynamically stable, insulating transition-metal phosphate used primarily in structural research.
About K2O8P2Zn2
K2O8P2Zn2 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 rigid structural framework that is of significant interest for fundamental materials science research.
Its position on the convex hull indicates a robust chemical state, making it a reliable subject for structural studies. The compound is primarily utilized in academic and laboratory settings to explore the diverse coordination environments possible within zinc-based phosphate systems.
Key Properties
Cross-validated computational properties for K2O8P2Zn2, 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 K2O8P2Zn2, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 3.89 | 0.0000 | -6.457 | 3.11 |
| Pna21 (No. 33) | orthorhombic | 3.96 | 0.0068 | -6.450 | 3.29 |
| No. 0 | unknown | — | — | — | 0.82 |
| — | — | — | — | — | 2.67 |
Applications
Where K2O8P2Zn2 is used.
Frequently Asked Questions
Common questions about K2O8P2Zn2, answered from cross-validated data.
What is K2O8P2Zn2?
K2O8P2Zn2 is a thermodynamically stable, insulating transition-metal phosphate used primarily in structural research.
What is K2O8P2Zn2 used for?
What is the band gap of K2O8P2Zn2?
Is K2O8P2Zn2 a metal, semiconductor, or insulator?
Is K2O8P2Zn2 thermodynamically stable?
What is the crystal structure of K2O8P2Zn2?
What is the density of K2O8P2Zn2?
How many polymorphs of K2O8P2Zn2 are known?
What elements does K2O8P2Zn2 contain?
Where does the data for K2O8P2Zn2 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the well-known battery cathode materials like LiFePO4 or LiCoPO4, which are heavily studied for their electrochemical lithium-ion storage properties, K2O8P2Zn2 serves as a structural model within the broader transition-metal phosphate class. While its siblings are often optimized for energy density, this compound is valued for its distinct crystallographic stability and structural variety.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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