Bi2Se3O10

Bi2Se3O10 is a stable, wide-gap insulating bismuth selenate compound used in materials research.

BiOSe
Crystal structure of Bi2Se3O10 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

About Bi2Se3O10

Bi2Se3O10 is a complex bismuth selenate that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined by a wide band gap, classifying it as an insulating material with potential utility in specialized dielectric or optical applications.

Due to its structural complexity, this compound has been documented across multiple databases, reflecting significant interest in its crystalline arrangement. Its stability suggests it can be synthesized and utilized in environments where robust, non-conductive bismuth-based oxides are required.

At a glance

Key Properties

Cross-validated computational properties for Bi2Se3O10, aggregated across 3 databases.

Band Gap

3.23 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Bi2Se3O10, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic3.230.0000-5.9296.09
C2/c (No. 15)Monoclinic5.78
C2/c (No. 15)Monoclinic6.21
C2/c (No. 15)Monoclinic5.92
C2/c (No. 15)
Uses

Applications

Where Bi2Se3O10 is used.

Materials science researchDielectric material developmentOptical component studies
Reference

Frequently Asked Questions

Common questions about Bi2Se3O10, answered from cross-validated data.

What is Bi2Se3O10?

Bi2Se3O10 is a stable, wide-gap insulating bismuth selenate compound used in materials research.

More questions
What is Bi2Se3O10 used for?
Bi2Se3O10 is used in materials science research, dielectric material development, and optical component studies.
What is the band gap of Bi2Se3O10?
Bi2Se3O10 has a DFT-computed band gap of 3.23 eV across 5 reported structures.
Is Bi2Se3O10 a metal, semiconductor, or insulator?
With a wide band gap up to 3.23 eV it is an insulator / wide-band-gap material.
Is Bi2Se3O10 thermodynamically stable?
Yes — Bi2Se3O10 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Bi2Se3O10?
The lowest-energy reported polymorph of Bi2Se3O10 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Bi2Se3O10?
The computed density of the ground-state structure of Bi2Se3O10 is 6.09 g/cm³.
How many polymorphs of Bi2Se3O10 are known?
5 structures of Bi2Se3O10 are reported across 3 databases, spanning 1 distinct space group.
What elements does Bi2Se3O10 contain?
Bi2Se3O10 contains Bi, O, and Se (3 elements).
Where does the data for Bi2Se3O10 come from?
Bi2Se3O10 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a member of the bismuth selenate family, Bi2Se3O10 serves as a distinct example of how bismuth and selenium can combine into stable, insulating architectures. While it represents a unique stoichiometric configuration, it contributes to the broader understanding of how heavy metal cations stabilize complex oxyanion frameworks.

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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