BiSe2

BiSe2 is a semiconducting bismuth chalcogenide material that is potentially synthesizable and studied for its role in thermoelectric energy research.

Crystal structure of BiSe2
Ground-state structure · Materials Project
Overview

About BiSe2

BiSe2 is a semiconducting bismuth chalcogenide that holds significant interest in materials science due to its structural complexity and electronic properties. As a near-hull phase, it is considered a viable candidate for experimental synthesis and further investigation into its physical characteristics.

This compound represents an intriguing member of the chalcogenide family, which is widely recognized for its utility in energy conversion technologies. Its potential for tuning electronic transport makes it a subject of ongoing research for those seeking to optimize performance in thermoelectric devices.

At a glance

Key Properties

Cross-validated computational properties for BiSe2, aggregated across 5 databases.

Band Gap

0.67 eV
Range across DFT structures

Energy Above Hull

0.021 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
3 DFT sources

Structures

77
5 databases, 19 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of BiSe2. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: high

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, nomad

Space Group Consensus

All match
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting BiSe2.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where BiSe2 is used.

Thermoelectric energy conversionSemiconductor researchSolid-state device development
Reference

Frequently Asked Questions

Common questions about BiSe2, answered from cross-validated data.

What is BiSe2?

BiSe2 is a semiconducting bismuth chalcogenide material that is potentially synthesizable and studied for its role in thermoelectric energy research.

More questions
What is BiSe2 used for?
BiSe2 is used in thermoelectric energy conversion, semiconductor research, and solid-state device development.
What is the band gap of BiSe2?
BiSe2 has a DFT-computed band gap of 0.67 eV across 77 reported structures.
Is BiSe2 a metal, semiconductor, or insulator?
With a band gap up to 0.67 eV it is a semiconductor.
Is BiSe2 thermodynamically stable?
BiSe2 has a lowest energy above hull of 0.021 eV/atom (near hull (likely stable)).
How many polymorphs of BiSe2 are known?
77 structures of BiSe2 are reported across 5 databases, spanning 19 distinct space groups.
How is BiSe2 synthesized?
Literature-reported routes for BiSe2 include solid state (3 procedures documented).
What elements does BiSe2 contain?
BiSe2 contains Bi and Se (2 elements).
Where does the data for BiSe2 come from?
BiSe2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the bismuth chalcogenide thermoelectrics class.

Within the broad class of bismuth chalcogenide thermoelectrics, BiSe2 occupies a unique niche compared to more established compounds like Bi2Se3 or Bi2Te3. While those siblings are frequently utilized as benchmarks for high-efficiency thermoelectric performance, BiSe2 offers a different structural framework that contributes to the diversity of the material system, providing researchers with alternative pathways for exploring charge and heat transport phenomena.

Explore

Related Compounds

Other Bismuth Chalcogenide Thermoelectrics in the database.

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

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