RbSb

RbSb is a thermodynamically stable semiconducting compound formed from rubidium and antimony.

RbSb
Crystal structure of RbSb (orthorhombic, P212121 (No. 19))
Ground-state structure · Materials Project
Overview

About RbSb

RbSb is a binary inorganic compound composed of rubidium and antimony. As a thermodynamically stable material residing on the convex hull, it represents a robust phase within its chemical system, making it a subject of significant interest for structural analysis and materials characterization.

This compound exhibits semiconducting electronic properties, positioning it as a candidate for specialized electronic and optoelectronic applications. With extensive documentation across multiple databases, it serves as a key reference point for researchers investigating the interplay between alkali metals and pnictogens.

At a glance

Key Properties

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

Band Gap

0.54–2.47 eV
Range across DFT structures · ground state: narrow gap

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

Stable
3 DFT sources

Structures

74
5 databases, 18 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of RbSb. 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, oqmd

Space Group Consensus

All match
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic0.710.0000-0.507—
——0.700.0000-0.433—
P21/c (No. 14)monoclinic0.640.0000-3.0704.01
——0.820.0006-0.433—
P212121 (No. 19)orthorhombic0.540.0010-3.0693.96
P212121 (No. 19)orthorhombic0.610.0040-0.503—
——0.000.1479-0.286—
——0.000.2649-0.169—
P-6m2 (No. 187)hexagonal0.000.3224-0.185—
——0.000.3937-0.040—
——0.000.3962-0.037—
——0.000.46070.027—
Uses

Applications

Where RbSb is used.

Semiconductor researchMaterials science characterizationSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is RbSb?

RbSb is a thermodynamically stable semiconducting compound formed from rubidium and antimony.

More questions
What is RbSb used for?
RbSb is used in semiconductor research, materials science characterization, and solid-state chemistry studies.
What is the band gap of RbSb?
RbSb has a DFT-computed band gap of 0.54–2.47 eV across 74 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is RbSb a metal, semiconductor, or insulator?
DFT predicts a band gap of up to 2.47 eV (a semiconductor). Measured gaps are typically larger.
Is RbSb thermodynamically stable?
Yes — RbSb sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of RbSb?
The reference structure of RbSb is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of RbSb?
The computed density of the ground-state structure of RbSb is 3.96 g/cm³.
How many polymorphs of RbSb are known?
74 structures of RbSb are reported across 5 databases, spanning 18 distinct space groups.
What elements does RbSb contain?
RbSb contains Rb and Sb (2 elements).
Where does the data for RbSb come from?
RbSb data is cross-referenced from jarvis, oqmd, materials_project, cod, mpaloe.
Comparison

How It Compares

As a stable binary phase, RbSb occupies a distinct position in the landscape of rubidium-antimony materials. Its thermodynamic stability and well-characterized structural profile provide a reliable baseline for understanding the broader behavior of alkali-antimonide systems.

Data sources & attribution
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.

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