H2Na2O14P4Zn2
H2Na2O14P4Zn2 is a stable, insulating transition-metal phosphate used in materials research to investigate complex structural frameworks.
About H2Na2O14P4Zn2
H2Na2O14P4Zn2 is a complex transition-metal phosphate characterized by its wide-gap insulating electronic profile. Its structural framework, which incorporates zinc and sodium ions, suggests a robust crystalline arrangement that is thermodynamically favorable for synthesis. This material represents a specific niche within the phosphate family, where the arrangement of polyanionic units dictates its physical properties. Its stability makes it an intriguing candidate for fundamental studies in solid-state chemistry, particularly in contexts where insulating behavior is required. The compound is primarily utilized in research settings to explore the structural diversity of hydrated metal phosphates and their potential for ion-conducting pathways.
Key Properties
Cross-validated computational properties for H2Na2O14P4Zn2, 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 H2Na2O14P4Zn2, 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 | 4.50 | 0.0178 | -6.661 | 3.23 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 3.23 |
| — | — | — | — | — | 3.23 |
Applications
Where H2Na2O14P4Zn2 is used.
Frequently Asked Questions
Common questions about H2Na2O14P4Zn2, answered from cross-validated data.
What is H2Na2O14P4Zn2?
H2Na2O14P4Zn2 is a stable, insulating transition-metal phosphate used in materials research to investigate complex structural frameworks.
What is H2Na2O14P4Zn2 used for?
What is the band gap of H2Na2O14P4Zn2?
Is H2Na2O14P4Zn2 a metal, semiconductor, or insulator?
Is H2Na2O14P4Zn2 thermodynamically stable?
What is the crystal structure of H2Na2O14P4Zn2?
What is the density of H2Na2O14P4Zn2?
How many polymorphs of H2Na2O14P4Zn2 are known?
What elements does H2Na2O14P4Zn2 contain?
Where does the data for H2Na2O14P4Zn2 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the well-known olivine-structured battery materials such as LiFePO4, LiMnPO4, and LiCoPO4, which are optimized for high-capacity electrochemical cycling, H2Na2O14P4Zn2 features a more complex hydrated framework. While members like TiP2O7 and LiFeP2O7 are frequently studied for their thermal stability and ionic mobility, this zinc-based phosphate provides a distinct structural alternative that emphasizes insulating characteristics rather than the redox-active behavior typical of its transition-metal-heavy siblings.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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