Ba4P2O

Ba4P2O is a thermodynamically stable semiconducting compound containing barium, phosphorus, and oxygen.

BaOP
Crystal structure of Ba4P2O
Ground-state structure · Materials Project
Overview

About Ba4P2O

Ba4P2O is a distinct inorganic compound composed of barium, phosphorus, and oxygen. It is recognized for its semiconducting electronic character and its position as a thermodynamically stable phase on the convex hull, indicating a robust structural arrangement under standard conditions.

This material is of significant interest in solid-state chemistry due to its well-defined structural profile. With multiple reported structures across major databases, it serves as a valuable subject for researchers investigating complex ternary oxides and phosphides for specialized electronic applications.

At a glance

Key Properties

Cross-validated computational properties for Ba4P2O, aggregated across 3 databases.

Band Gap

1.04 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Ba4P2O is used.

Solid-state chemistry researchSemiconductor materials development
Reference

Frequently Asked Questions

Common questions about Ba4P2O, answered from cross-validated data.

What is Ba4P2O?

Ba4P2O is a thermodynamically stable semiconducting compound containing barium, phosphorus, and oxygen.

More questions
What is Ba4P2O used for?
Ba4P2O is used in solid-state chemistry research and semiconductor materials development.
What is the band gap of Ba4P2O?
Ba4P2O has a DFT-computed band gap of 1.04 eV across 5 reported structures.
Is Ba4P2O a metal, semiconductor, or insulator?
With a band gap up to 1.04 eV it is a semiconductor.
Is Ba4P2O thermodynamically stable?
Yes — Ba4P2O sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ba4P2O are known?
5 structures of Ba4P2O are reported across 3 databases, spanning 1 distinct space group.
What elements does Ba4P2O contain?
Ba4P2O contains Ba, O, and P (3 elements).
Where does the data for Ba4P2O come from?
Ba4P2O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary compound, Ba4P2O represents a specialized structural configuration within the landscape of barium-based materials. Its thermodynamic stability distinguishes it as a reliable candidate for further experimental characterization compared to less stable or metastable phases in similar chemical systems.

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

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