Rb2Be2O3

Rb2Be2O3 is a stable, wide-band-gap insulating compound containing rubidium, beryllium, and oxygen.

BeORb
Crystal structure of Rb2Be2O3 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About Rb2Be2O3

Rb2Be2O3 is a thermodynamically stable inorganic compound composed of rubidium, beryllium, and oxygen. As a wide-band-gap insulator, it exhibits electronic properties characteristic of materials that do not readily conduct electricity under standard conditions. Its position on the convex hull confirms its inherent stability, making it a significant subject for structural analysis.

With multiple reported structures across major materials databases, this compound serves as a key reference point for researchers studying complex oxide systems. Its specific arrangement of beryllium and oxygen polyhedra within the rubidium lattice provides insights into the structural diversity possible within this chemical family.

At a glance

Key Properties

Cross-validated computational properties for Rb2Be2O3, aggregated across 3 databases.

Band Gap

2.46–3.91 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Rb2Be2O3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic2.460.0000-5.8473.57
P41212 (No. 92)tetragonal3.630.0312-5.8163.71
P43212 (No. 96)tetragonal3.910.0313-5.8163.71
P21/c (No. 14)monoclinic3.110.0377-5.8093.12
P21/c (No. 14)
Pnma (No. 62)Orthorhombic3.51
Pnma (No. 62)Orthorhombic3.41
P43212 (No. 96)Tetragonal3.71
P43212 (No. 96)Tetragonal3.80
P21/c (No. 14)Monoclinic3.00
Pnma (No. 62)Orthorhombic3.52
P43212 (No. 96)Tetragonal3.79
Reference

Frequently Asked Questions

Common questions about Rb2Be2O3, answered from cross-validated data.

What is Rb2Be2O3?

Rb2Be2O3 is a stable, wide-band-gap insulating compound containing rubidium, beryllium, and oxygen.

More questions
What is the band gap of Rb2Be2O3?
Rb2Be2O3 has a DFT-computed band gap of 2.46–3.91 eV across 14 reported structures.
Is Rb2Be2O3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.91 eV it is an insulator / wide-band-gap material.
Is Rb2Be2O3 thermodynamically stable?
Yes — Rb2Be2O3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2Be2O3?
The lowest-energy reported polymorph of Rb2Be2O3 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Rb2Be2O3?
The computed density of the ground-state structure of Rb2Be2O3 is 3.57 g/cm³.
How many polymorphs of Rb2Be2O3 are known?
14 structures of Rb2Be2O3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Rb2Be2O3 contain?
Rb2Be2O3 contains Be, O, and Rb (3 elements).
Where does the data for Rb2Be2O3 come from?
Rb2Be2O3 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a distinct member of the rubidium beryllium oxide system, Rb2Be2O3 represents a stable configuration that contributes to our broader understanding of how alkali metals interact with beryllium-oxygen frameworks. It serves as a foundational example of structural complexity in this class of insulating oxides.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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