H10K2O18P4Zn2
H10K2O18P4Zn2 is a hydrated potassium zinc phosphate material that functions as a wide-gap insulator.
About H10K2O18P4Zn2
H10K2O18P4Zn2 is a complex transition-metal phosphate characterized by its insulating electronic nature. As a hydrated potassium zinc phosphate, it represents a specialized structural framework within the broader phosphate family, offering unique coordination environments for the zinc cations.
This compound is considered near-hull in terms of thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. Its structural complexity and insulating behavior make it an interesting subject for fundamental studies in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for H10K2O18P4Zn2, 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 H10K2O18P4Zn2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 4.48 | 0.0051 | -6.192 | 2.47 |
| Pna21 (No. 33) | orthorhombic | 4.50 | 0.0165 | -6.181 | 2.57 |
| — | — | — | — | — | 2.50 |
| No. 0 | unknown | — | — | — | 1.27 |
Applications
Where H10K2O18P4Zn2 is used.
Frequently Asked Questions
Common questions about H10K2O18P4Zn2, answered from cross-validated data.
What is H10K2O18P4Zn2?
H10K2O18P4Zn2 is a hydrated potassium zinc phosphate material that functions as a wide-gap insulator.
What is H10K2O18P4Zn2 used for?
What is the band gap of H10K2O18P4Zn2?
Is H10K2O18P4Zn2 a metal, semiconductor, or insulator?
Is H10K2O18P4Zn2 thermodynamically stable?
What is the crystal structure of H10K2O18P4Zn2?
What is the density of H10K2O18P4Zn2?
How many polymorphs of H10K2O18P4Zn2 are known?
What elements does H10K2O18P4Zn2 contain?
Where does the data for H10K2O18P4Zn2 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the well-known electrochemically active olivine-type phosphates such as LiFePO4 or LiMnPO4, which are primarily utilized for their lithium-ion transport properties, H10K2O18P4Zn2 occupies a niche as a more complex, hydrated framework. While materials like LiFeP2O7 are frequently studied for battery applications, this compound is distinguished by its distinct stoichiometry and structural hydration, positioning it as a specialized member of the transition-metal phosphate class.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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