H8Li4O20P4Zn4

This compound is a complex, wide-gap insulating transition-metal phosphate that is theoretically stable and potentially synthesizable.

Crystal structure of H8Li4O20P4Zn4
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for H8Li4O20P4Zn4, aggregated across 3 databases.

Band Gap

4.21–4.38 eV
Range across DFT structures

Energy Above Hull

0.020 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

4
3 databases, 3 space groups
Uses

Applications

Where H8Li4O20P4Zn4 is used.

Solid-state ionics researchFundamental materials scienceStructural chemistry studies
Reference

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.

More questions
What is H8Li4O20P4Zn4 used for?
H8Li4O20P4Zn4 is used in solid-state ionics research, fundamental materials science, and structural chemistry studies.
What is the band gap of H8Li4O20P4Zn4?
H8Li4O20P4Zn4 has a DFT-computed band gap of 4.21–4.38 eV across 4 reported structures.
Is H8Li4O20P4Zn4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.38 eV it is an insulator / wide-band-gap material.
Is H8Li4O20P4Zn4 thermodynamically stable?
H8Li4O20P4Zn4 has a lowest energy above hull of 0.020 eV/atom (near hull (likely stable)).
How many polymorphs of H8Li4O20P4Zn4 are known?
4 structures of H8Li4O20P4Zn4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does H8Li4O20P4Zn4 contain?
H8Li4O20P4Zn4 contains H, Li, O, P, and Zn (5 elements).
Where does the data for H8Li4O20P4Zn4 come from?
H8Li4O20P4Zn4 data is cross-referenced from latticegraph.
Comparison

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.

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Related Compounds

Other Transition-Metal Phosphates in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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