LiFeP

LiFeP is a thermodynamically stable, semimetallic phosphide compound investigated for its potential in thermoelectric applications.

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

About LiFeP

LiFeP is a thermodynamically stable compound that sits directly on the convex hull, indicating robust structural integrity. As a member of the skutterudite-related family, it exhibits a near-zero-gap electronic character, positioning it as a semimetallic material with unique charge carrier dynamics. Its structural stability makes it a compelling subject for fundamental research into thermoelectric energy conversion.

This material is primarily studied for its potential in high-efficiency thermal management and power generation systems. By leveraging its specific electronic structure, researchers aim to optimize its performance for solid-state cooling or waste-heat recovery, where maintaining stability under varying thermal conditions is critical.

At a glance

Key Properties

Cross-validated computational properties for LiFeP, aggregated across 4 databases.

Band Gap

0.03 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

17
4 databases, 7 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting LiFeP.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Uses

Applications

Where LiFeP is used.

Thermoelectric power generationSolid-state thermal managementFundamental condensed matter research
Reference

Frequently Asked Questions

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

What is LiFeP?

LiFeP is a thermodynamically stable, semimetallic phosphide compound investigated for its potential in thermoelectric applications.

More questions
What is LiFeP used for?
LiFeP is used in thermoelectric power generation, solid-state thermal management, and fundamental condensed matter research.
What is the band gap of LiFeP?
LiFeP has a DFT-computed band gap of 0.03 eV across 17 reported structures.
Is LiFeP a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is LiFeP thermodynamically stable?
Yes — LiFeP sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiFeP are known?
17 structures of LiFeP are reported across 4 databases, spanning 7 distinct space groups.
How is LiFeP synthesized?
Literature-reported routes for LiFeP include sol gel, solid state (10 procedures documented).
What elements does LiFeP contain?
LiFeP contains Fe, Li, and P (3 elements).
Where does the data for LiFeP come from?
LiFeP data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the skutterudite thermoelectrics class.

Within the broader family of phosphide-based skutterudites and related structures, LiFeP distinguishes itself through its specific lithium-iron-phosphorus stoichiometry. While compounds like FeP and FeP2 are well-characterized for their magnetic and electronic properties, LiFeP offers a distinct structural configuration that influences its semimetallic nature, providing a different electronic landscape compared to the more common binary phosphides like NiP or CoP2.

Explore

Related Compounds

Other Skutterudite Thermoelectrics in the database.

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

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