H8Li4O20P4Zn4
This compound is a complex, wide-gap insulating transition-metal phosphate that is theoretically stable and potentially synthesizable.
About H8Li4O20P4Zn4
H8Li4O20P4Zn4 is a complex transition-metal phosphate characterized by its wide-gap insulating electronic profile. Its structural framework, incorporating lithium and zinc, positions it as a material of interest for researchers investigating ion-conducting pathways and stable crystalline lattices. The compound exists in a near-hull state of thermodynamic stability, suggesting that it is a viable candidate for experimental synthesis. As a member of the phosphate family, it offers a unique arrangement of polyanionic units that contribute to its overall structural integrity.
Key Properties
Cross-validated computational properties for H8Li4O20P4Zn4, 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 H8Li4O20P4Zn4, 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 | 4.21 | 0.0205 | -6.157 | 2.75 |
| Pca21 (No. 29) | orthorhombic | 4.38 | 0.0213 | -6.156 | 2.86 |
| Pna21 (No. 33) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.74 |
Applications
Where H8Li4O20P4Zn4 is used.
Frequently Asked Questions
Common questions about H8Li4O20P4Zn4, answered from cross-validated data.
What is H8Li4O20P4Zn4?
This compound is a complex, wide-gap insulating transition-metal phosphate that is theoretically stable and potentially synthesizable.
What is H8Li4O20P4Zn4 used for?
What is the band gap of H8Li4O20P4Zn4?
Is H8Li4O20P4Zn4 a metal, semiconductor, or insulator?
Is H8Li4O20P4Zn4 thermodynamically stable?
What is the crystal structure of H8Li4O20P4Zn4?
What is the density of H8Li4O20P4Zn4?
How many polymorphs of H8Li4O20P4Zn4 are known?
What elements does H8Li4O20P4Zn4 contain?
Where does the data for H8Li4O20P4Zn4 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the well-known olivine-structured battery materials such as LiFePO4 or LiMnPO4, which are primarily studied for their electrochemical redox activity, H8Li4O20P4Zn4 represents a more complex, hydrogen-containing phosphate architecture. While siblings like LiFeP2O7 are frequently explored for their specific framework stability in energy storage, this compound stands out for its distinct stoichiometry and insulating character, offering a different structural template compared to the transition-metal-heavy counterparts in the 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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