K4Li4O28P8Zn4
K4Li4O28P8Zn4 is a thermodynamically stable, insulating transition-metal phosphate compound.
About K4Li4O28P8Zn4
K4Li4O28P8Zn4 is a complex transition-metal phosphate characterized by its wide-gap insulating electronic profile. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural studies within the broader family of phosphate-based compounds. Its intricate anionic framework highlights the structural diversity possible within multi-element phosphate systems.
The compound serves as a critical reference point for understanding the interplay between alkali metals and transition metal centers in complex crystalline environments. Its stability and insulating nature are of particular interest to researchers investigating the fundamental properties of inorganic phosphates for potential advanced material applications.
Key Properties
Cross-validated computational properties for K4Li4O28P8Zn4, 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 K4Li4O28P8Zn4, 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. |
|---|---|---|---|---|---|
| Pmc21 (No. 26) | orthorhombic | 4.52 | 0.0000 | -6.760 | 2.79 |
| — | — | — | — | — | 2.79 |
| Pmc21 (No. 26) | — | — | — | — | — |
Applications
Where K4Li4O28P8Zn4 is used.
Frequently Asked Questions
Common questions about K4Li4O28P8Zn4, answered from cross-validated data.
What is K4Li4O28P8Zn4?
K4Li4O28P8Zn4 is a thermodynamically stable, insulating transition-metal phosphate compound.
What is K4Li4O28P8Zn4 used for?
What is the band gap of K4Li4O28P8Zn4?
Is K4Li4O28P8Zn4 a metal, semiconductor, or insulator?
Is K4Li4O28P8Zn4 thermodynamically stable?
What is the crystal structure of K4Li4O28P8Zn4?
What is the density of K4Li4O28P8Zn4?
How many polymorphs of K4Li4O28P8Zn4 are known?
What elements does K4Li4O28P8Zn4 contain?
Where does the data for K4Li4O28P8Zn4 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the widely utilized olivine-structured battery materials such as LiFePO4, LiMnPO4, and LiCoPO4, which are primarily studied for their electrochemical redox activity, K4Li4O28P8Zn4 functions as a stable, insulating structural framework. While its siblings like LiFeP2O7 or TiP2O7 are often explored for their ionic conductivity or specific catalytic potential, this compound is distinguished by its unique stoichiometry and its position as a thermodynamically stable 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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