BCsO2

This compound is a ternary inorganic material composed of boron, cesium, and oxygen. It is primarily studied in academic research settings for its structural properties and potential roles in advanced materials science.

BCsO
Crystal structure of BCsO2 (trigonal, R-3c (No. 167))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for BCsO2, aggregated across 3 databases.

Band Gap

3.85 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for BCsO2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3c (No. 167)trigonal3.850.0000-6.9733.86
4.94
Uses

Applications

Where BCsO2 is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about BCsO2, answered from cross-validated data.

What is BCsO2?

This compound is a ternary inorganic material composed of boron, cesium, and oxygen. It is primarily studied in academic research settings for its structural properties and potential roles in advanced materials science.

More questions
What is BCsO2 used for?
BCsO2 is used in materials science research and solid-state chemistry studies.
What is the band gap of BCsO2?
BCsO2 has a DFT-computed band gap of 3.85 eV across 3 reported structures.
Is BCsO2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.85 eV it is an insulator / wide-band-gap material.
Is BCsO2 thermodynamically stable?
Yes — BCsO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of BCsO2?
The lowest-energy reported polymorph of BCsO2 is trigonal symmetry, space group R-3c (No. 167).
What is the density of BCsO2?
The computed density of the ground-state structure of BCsO2 is 3.86 g/cm³.
How many polymorphs of BCsO2 are known?
3 structures of BCsO2 are reported across 3 databases, spanning 1 distinct space group.
What elements does BCsO2 contain?
BCsO2 contains B, Cs, and O (3 elements).
Where does the data for BCsO2 come from?
BCsO2 data is cross-referenced from materials_project, omat24, alexandria.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • alexandria — Data from alexandria.

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