H4O20P4Ti4

H4O20P4Ti4 is a stable, semiconducting transition-metal phosphate with a complex structural framework used in materials research.

Crystal structure of H4O20P4Ti4
Ground-state structure · Materials Project
Overview

About H4O20P4Ti4

H4O20P4Ti4 is a semiconducting transition-metal phosphate that sits firmly on the convex hull, indicating high thermodynamic stability. Its complex framework, characterized by a rich variety of reported structural phases, highlights its versatility as a fundamental building block in inorganic chemistry.

This compound represents an important intersection of titanium chemistry and phosphate-based materials science. Its electronic character and stable structural configuration make it a subject of interest for researchers investigating advanced ion-conducting materials and potential electrode architectures.

At a glance

Key Properties

Cross-validated computational properties for H4O20P4Ti4, aggregated across 3 databases.

Band Gap

2.42–2.88 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Uses

Applications

Where H4O20P4Ti4 is used.

Materials science researchSolid-state ionicsAdvanced inorganic synthesis
Reference

Frequently Asked Questions

Common questions about H4O20P4Ti4, answered from cross-validated data.

What is H4O20P4Ti4?

H4O20P4Ti4 is a stable, semiconducting transition-metal phosphate with a complex structural framework used in materials research.

More questions
What is H4O20P4Ti4 used for?
H4O20P4Ti4 is used in materials science research, solid-state ionics, and advanced inorganic synthesis.
What is the band gap of H4O20P4Ti4?
H4O20P4Ti4 has a DFT-computed band gap of 2.42–2.88 eV across 7 reported structures.
Is H4O20P4Ti4 a metal, semiconductor, or insulator?
With a band gap up to 2.88 eV it is a semiconductor.
Is H4O20P4Ti4 thermodynamically stable?
Yes — H4O20P4Ti4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of H4O20P4Ti4 are known?
7 structures of H4O20P4Ti4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H4O20P4Ti4 contain?
H4O20P4Ti4 contains H, O, P, and Ti (4 elements).
Where does the data for H4O20P4Ti4 come from?
H4O20P4Ti4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the transition-metal phosphates class.

Within the diverse family of transition-metal phosphates, H4O20P4Ti4 occupies a distinct niche compared to well-known battery materials like LiFePO4 or LiMnPO4. While its siblings are primarily recognized for their roles in lithium-ion storage, this titanium-based variant offers a different structural geometry and electronic profile, distinguishing it from related pyrophosphates such as TiP2O7 or LiFeP2O7.

Explore

Related Compounds

Other Transition-Metal Phosphates in the database.

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

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