H2O16P4Rb2Zn4

H2O16P4Rb2Zn4 is a thermodynamically stable, insulating transition-metal phosphate used in materials research.

Crystal structure of H2O16P4Rb2Zn4
Ground-state structure · Materials Project
Overview

About H2O16P4Rb2Zn4

H2O16P4Rb2Zn4 is a complex transition-metal phosphate characterized by its insulating electronic behavior and robust thermodynamic stability. As a member of the phosphate class, it maintains a stable structural framework that is of significant interest for fundamental materials science studies. Its composition, incorporating rubidium and zinc, allows for unique structural arrangements within the phosphate lattice. This compound serves as a valuable reference point for understanding the interplay between alkali metals and transition metals in complex anionic frameworks. Its stability on the convex hull indicates a favorable formation energy, making it a reliable candidate for structural characterization in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for H2O16P4Rb2Zn4, aggregated across 3 databases.

Band Gap

3.93 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where H2O16P4Rb2Zn4 is used.

Solid-state chemistry researchStructural materials scienceFundamental phosphate framework studies
Reference

Frequently Asked Questions

Common questions about H2O16P4Rb2Zn4, answered from cross-validated data.

What is H2O16P4Rb2Zn4?

H2O16P4Rb2Zn4 is a thermodynamically stable, insulating transition-metal phosphate used in materials research.

More questions
What is H2O16P4Rb2Zn4 used for?
H2O16P4Rb2Zn4 is used in solid-state chemistry research, structural materials science, and fundamental phosphate framework studies.
What is the band gap of H2O16P4Rb2Zn4?
H2O16P4Rb2Zn4 has a DFT-computed band gap of 3.93 eV across 3 reported structures.
Is H2O16P4Rb2Zn4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.93 eV it is an insulator / wide-band-gap material.
Is H2O16P4Rb2Zn4 thermodynamically stable?
Yes — H2O16P4Rb2Zn4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of H2O16P4Rb2Zn4 are known?
3 structures of H2O16P4Rb2Zn4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H2O16P4Rb2Zn4 contain?
H2O16P4Rb2Zn4 contains H, O, P, Rb, and Zn (5 elements).
Where does the data for H2O16P4Rb2Zn4 come from?
H2O16P4Rb2Zn4 data is cross-referenced from latticegraph.
Comparison

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 extensively utilized in battery cathode research, H2O16P4Rb2Zn4 functions primarily as a stable, wide-gap insulating phosphate. While siblings like TiP2O7 or LiFeP2O7 are often explored for their ionic conductivity or redox properties, this compound represents a different structural niche within the transition-metal phosphate family, prioritizing structural integrity and insulating characteristics over the active redox cycling seen in its lithium-based counterparts.

Explore

Related Compounds

Other Transition-Metal Phosphates in the database.

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

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