Ba2O20Pr4Ti6

Ba2O20Pr4Ti6 is a semiconducting perovskite titanate that is considered a viable candidate for experimental synthesis due to its favorable thermodynamic stability.

Crystal structure of Ba2O20Pr4Ti6
Ground-state structure · Materials Project
Overview

About Ba2O20Pr4Ti6

Ba2O20Pr4Ti6 is a complex perovskite titanate characterized by its semiconducting electronic nature. As a near-hull stable material, it holds significant potential for synthesis and further investigation within the broader family of titanate-based ceramics.

Its structural complexity and electronic properties make it a compelling candidate for materials science studies exploring the interplay between rare-earth elements and transition metal oxides. Researchers utilize such compounds to understand how compositional variations influence the fundamental behavior of perovskite-structured materials.

At a glance

Key Properties

Cross-validated computational properties for Ba2O20Pr4Ti6, aggregated across 3 databases.

Band Gap

1.95 eV
Range across DFT structures

Energy Above Hull

0.003 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Ba2O20Pr4Ti6 is used.

Advanced ceramic researchElectronic materials developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Ba2O20Pr4Ti6, answered from cross-validated data.

What is Ba2O20Pr4Ti6?

Ba2O20Pr4Ti6 is a semiconducting perovskite titanate that is considered a viable candidate for experimental synthesis due to its favorable thermodynamic stability.

More questions
What is Ba2O20Pr4Ti6 used for?
Ba2O20Pr4Ti6 is used in advanced ceramic research, electronic materials development, and solid-state chemistry studies.
What is the band gap of Ba2O20Pr4Ti6?
Ba2O20Pr4Ti6 has a DFT-computed band gap of 1.95 eV across 5 reported structures.
Is Ba2O20Pr4Ti6 a metal, semiconductor, or insulator?
With a band gap up to 1.95 eV it is a semiconductor.
Is Ba2O20Pr4Ti6 thermodynamically stable?
Ba2O20Pr4Ti6 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
How many polymorphs of Ba2O20Pr4Ti6 are known?
5 structures of Ba2O20Pr4Ti6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ba2O20Pr4Ti6 contain?
Ba2O20Pr4Ti6 contains Ba, O, Pr, and Ti (4 elements).
Where does the data for Ba2O20Pr4Ti6 come from?
Ba2O20Pr4Ti6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the perovskite titanates class.

Within the diverse class of perovskite titanates, Ba2O20Pr4Ti6 occupies a distinct space compared to more common, highly studied members like BaTiO3 or SrTiO3. While those simpler structures are foundational in capacitor and sensor technologies, this compound represents a more intricate arrangement of elements that offers unique structural possibilities for specialized electronic applications.

Explore

Related Compounds

Other Perovskite Titanates in the database.

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

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