Ba1Se2Y1

Ba1Se2Y1 is a thermodynamically stable semiconducting compound composed of barium, yttrium, and selenium.

BaSeY
Overview

About Ba1Se2Y1

Ba1Se2Y1 is a complex inorganic compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural and electronic investigations.

Its existence across multiple reported structures suggests a versatile coordination environment. This stability and electronic profile position the compound as a subject of interest for researchers exploring new functional materials within the broader landscape of chalcogenide-based systems.

At a glance

Key Properties

Cross-validated computational properties for Ba1Se2Y1, aggregated across 2 databases.

Band Gap

1.49 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

27
2 databases, 16 space groups
Uses

Applications

Where Ba1Se2Y1 is used.

Semiconductor researchSolid-state chemistryMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Ba1Se2Y1, answered from cross-validated data.

What is Ba1Se2Y1?

Ba1Se2Y1 is a thermodynamically stable semiconducting compound composed of barium, yttrium, and selenium.

More questions
What is Ba1Se2Y1 used for?
Ba1Se2Y1 is used in semiconductor research, solid-state chemistry, and materials science exploration.
What is the band gap of Ba1Se2Y1?
Ba1Se2Y1 has a DFT-computed band gap of 1.49 eV across 27 reported structures.
Is Ba1Se2Y1 a metal, semiconductor, or insulator?
With a band gap up to 1.49 eV it is a semiconductor.
Is Ba1Se2Y1 thermodynamically stable?
Yes — Ba1Se2Y1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ba1Se2Y1 are known?
27 structures of Ba1Se2Y1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Ba1Se2Y1 contain?
Ba1Se2Y1 contains Ba, Se, and Y (3 elements).
Where does the data for Ba1Se2Y1 come from?
Ba1Se2Y1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in its material class, Ba1Se2Y1 serves as a foundational example of how alkaline earth and rare-earth elements can combine with selenium to form stable, semiconducting architectures. It provides a baseline for understanding the structural diversity possible in ternary selenide systems.

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

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