BaLiP

BaLiP is a stable, semiconducting ternary phosphide compound composed of barium, lithium, and phosphorus.

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

About BaLiP

BaLiP is a ternary phosphide that exhibits semiconducting electronic character. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement of barium, lithium, and phosphorus atoms.

The material is characterized by a well-defined structural profile, supported by multiple entries across experimental and computational databases. Its stability and semiconducting nature make it a subject of interest for researchers investigating new functional inorganic materials.

At a glance

Key Properties

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

Band Gap

0.70–0.96 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

8
3 databases, 4 space groups
Uses

Applications

Where BaLiP is used.

Semiconductor researchSolid-state chemistry studiesFundamental materials science exploration
Reference

Frequently Asked Questions

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

What is BaLiP?

BaLiP is a stable, semiconducting ternary phosphide compound composed of barium, lithium, and phosphorus.

More questions
What is BaLiP used for?
BaLiP is used in semiconductor research, solid-state chemistry studies, and fundamental materials science exploration.
What is the band gap of BaLiP?
BaLiP has a DFT-computed band gap of 0.70–0.96 eV across 8 reported structures.
Is BaLiP a metal, semiconductor, or insulator?
With a band gap up to 0.96 eV it is a semiconductor.
Is BaLiP thermodynamically stable?
Yes — BaLiP sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaLiP are known?
8 structures of BaLiP are reported across 3 databases, spanning 4 distinct space groups.
What elements does BaLiP contain?
BaLiP contains Ba, Li, and P (3 elements).
Where does the data for BaLiP come from?
BaLiP data is cross-referenced from latticegraph.
Comparison

How It Compares

As a ternary phosphide, BaLiP occupies a distinct position in materials science where the combination of alkaline earth, alkali, and pnictogen elements creates unique structural motifs. Unlike simpler binary phosphides, this compound leverages its specific stoichiometry to maintain thermodynamic stability, serving as a reference point for exploring complex quaternary or doped systems in the future.

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

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