Cs4O16P4Zn4

Cs4O16P4Zn4 is a thermodynamically stable, wide-gap insulating transition-metal phosphate known for its structural complexity.

Crystal structure of Cs4O16P4Zn4
Ground-state structure · Materials Project
Overview

About Cs4O16P4Zn4

Cs4O16P4Zn4 is a structurally complex transition-metal phosphate that exhibits robust thermodynamic stability, residing directly on the convex hull. Its electronic character is defined by a wide-gap insulating nature, which distinguishes it from many conductive or semi-conductive phosphate counterparts.

This material is a subject of significant interest in solid-state chemistry due to its structural diversity, with multiple reported configurations across major databases. Its unique atomic arrangement makes it a valuable model for understanding the stability and bonding characteristics within the broader family of complex phosphate frameworks.

At a glance

Key Properties

Cross-validated computational properties for Cs4O16P4Zn4, aggregated across 3 databases.

Band Gap

3.89–3.97 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 3 space groups
Uses

Applications

Where Cs4O16P4Zn4 is used.

Solid-state structural researchMaterials science modelingFundamental inorganic chemistry studies
Reference

Frequently Asked Questions

Common questions about Cs4O16P4Zn4, answered from cross-validated data.

What is Cs4O16P4Zn4?

Cs4O16P4Zn4 is a thermodynamically stable, wide-gap insulating transition-metal phosphate known for its structural complexity.

More questions
What is Cs4O16P4Zn4 used for?
Cs4O16P4Zn4 is used in solid-state structural research, materials science modeling, and fundamental inorganic chemistry studies.
What is the band gap of Cs4O16P4Zn4?
Cs4O16P4Zn4 has a DFT-computed band gap of 3.89–3.97 eV across 6 reported structures.
Is Cs4O16P4Zn4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.97 eV it is an insulator / wide-band-gap material.
Is Cs4O16P4Zn4 thermodynamically stable?
Yes — Cs4O16P4Zn4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cs4O16P4Zn4 are known?
6 structures of Cs4O16P4Zn4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Cs4O16P4Zn4 contain?
Cs4O16P4Zn4 contains Cs, O, P, and Zn (4 elements).
Where does the data for Cs4O16P4Zn4 come from?
Cs4O16P4Zn4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the transition-metal phosphates class.

Unlike the well-known battery cathode materials such as LiFePO4, LiMnPO4, and LiCoPO4, which are primarily studied for their electrochemical lithium-ion storage capabilities, Cs4O16P4Zn4 is characterized by its insulating electronic profile and structural stability. While siblings like TiP2O7 and LiCrP2O7 are often investigated for their ion-conducting properties or catalytic potential, this compound serves as a distinct example of a stable, wide-gap phosphate framework that does not prioritize the same electrochemical redox activity found in the lithium-transition-metal phosphate series.

Explore

Related Compounds

Other Transition-Metal Phosphates in the database.

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

Analyze Cs4O16P4Zn4 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →