Bi2SeO2

Bismuth selenium oxide is a crystalline inorganic compound characterized by its layered structure. It is primarily utilized in advanced materials research for its potential semiconducting properties and its role in the study of topological insulators.

BiOSe
Crystal structure of Bi2SeO2 (tetragonal, I4/mmm (No. 139))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Bi2SeO2, aggregated across 3 databases.

Band Gap

0.37 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Bi2SeO2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I4/mmm (No. 139)tetragonal0.370.0000-5.5869.47
I4/mmm (No. 139)tetragonal0.000.9382-4.6489.53
I4/mmm (No. 139)Tetragonal9.18
I4/mmm (No. 139)Tetragonal9.75
I4/mmm (No. 139)Tetragonal9.43
Imm2 (No. 44)
I4/mmm (No. 139)
I4/mmm (No. 139)
I4/mmm (No. 139)
Uses

Applications

Where Bi2SeO2 is used.

Materials science researchSemiconductor developmentTopological insulator studies
Reference

Frequently Asked Questions

Common questions about Bi2SeO2, answered from cross-validated data.

What is Bi2SeO2?

Bismuth selenium oxide is a crystalline inorganic compound characterized by its layered structure. It is primarily utilized in advanced materials research for its potential semiconducting properties and its role in the study of topological insulators.

More questions
What is Bi2SeO2 used for?
Bi2SeO2 is used in materials science research, semiconductor development, and topological insulator studies.
What is the band gap of Bi2SeO2?
Bi2SeO2 has a DFT-computed band gap of 0.37 eV across 9 reported structures.
Is Bi2SeO2 a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is Bi2SeO2 thermodynamically stable?
Yes — Bi2SeO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Bi2SeO2?
The lowest-energy reported polymorph of Bi2SeO2 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Bi2SeO2?
The computed density of the ground-state structure of Bi2SeO2 is 9.47 g/cm³.
How many polymorphs of Bi2SeO2 are known?
9 structures of Bi2SeO2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Bi2SeO2 contain?
Bi2SeO2 contains Bi, O, and Se (3 elements).
Where does the data for Bi2SeO2 come from?
Bi2SeO2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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