Ba1P2Te1

Ba1P2Te1 is a semiconducting ternary compound consisting of barium, phosphorus, and tellurium that exhibits a wide range of potential structural configurations.

BaPTe
Overview

About Ba1P2Te1

Ba1P2Te1 is a complex ternary compound composed of barium, phosphorus, and tellurium. As a semiconducting material, it exhibits electronic properties that bridge the gap between metallic and insulating behaviors, making it a subject of interest for fundamental structural studies. Its existence across numerous reported structures highlights the diverse ways these elements can arrange themselves at the atomic scale.

Despite the high number of structural configurations identified in databases, the compound is characterized as being above the thermodynamic hull. This suggests that while it can exist in various forms, it may be metastable under standard conditions. Understanding its stability is crucial for researchers investigating the synthesis and potential utility of such complex pnictide-telluride systems.

At a glance

Key Properties

Cross-validated computational properties for Ba1P2Te1, aggregated across 2 databases.

Band Gap

1.17 eV
Range across DFT structures

Energy Above Hull

0.118 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 17 space groups
Reference

Frequently Asked Questions

Common questions about Ba1P2Te1, answered from cross-validated data.

What is Ba1P2Te1?

Ba1P2Te1 is a semiconducting ternary compound consisting of barium, phosphorus, and tellurium that exhibits a wide range of potential structural configurations.

More questions
What is the band gap of Ba1P2Te1?
Ba1P2Te1 has a DFT-computed band gap of 1.17 eV across 26 reported structures.
Is Ba1P2Te1 a metal, semiconductor, or insulator?
With a band gap up to 1.17 eV it is a semiconductor.
Is Ba1P2Te1 thermodynamically stable?
Ba1P2Te1 has a lowest energy above hull of 0.118 eV/atom (above hull).
How many polymorphs of Ba1P2Te1 are known?
26 structures of Ba1P2Te1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Ba1P2Te1 contain?
Ba1P2Te1 contains Ba, P, and Te (3 elements).
Where does the data for Ba1P2Te1 come from?
Ba1P2Te1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ba1P2Te1 represents a specialized structural arrangement within the broader family of barium-based pnictides and tellurides. Unlike more common, highly stable binary compounds, this material occupies a distinct niche where structural diversity is high, even if thermodynamic stability remains a challenge for practical synthesis.

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

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