Xe

Xenon · noble gas

Xenon is a stable, inert noble gas used primarily in specialized lighting, medical imaging, and advanced propulsion systems.

Xe
Crystal structure of Xe (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About Xenon

Xenon is a noble gas that exists as a thermodynamically stable element. It is chemically inert under standard conditions, reflecting its closed-shell electronic configuration which results in a wide-gap insulating character. Its unique physical properties make it a subject of extensive structural research across multiple databases.

This element is highly valued for its ability to produce intense light when excited and its high atomic mass, which is leveraged in specialized engineering sectors. Its stability and lack of reactivity allow it to serve as a reliable medium in environments where chemical interference must be strictly avoided.

At a glance

Key Properties

Cross-validated computational properties for Xenon, aggregated across 6 databases.

Band Gap

4.98–6.86 eV
Range across DFT structures · ground state: insulator

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

Stable
4 DFT sources

Structures

77
6 databases, 6 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of Xe. 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

Mixed (most: Fm-3m (No. 225))
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
——6.300.00000.000—
R-3m (No. 166)trigonal6.170.0000-0.0362.54
Fm-3m (No. 225)cubic6.150.00000.000—
Fm-3m (No. 225)cubic6.150.00000.000—
Fm-3m (No. 225)cubic6.150.00000.000—
P63/mmc (No. 194)hexagonal6.150.00000.000—
P63/mmc (No. 194)hexagonal6.150.00000.000—
Fm-3m (No. 225)cubic6.150.00000.000—
Im-3m (No. 229)cubic6.130.00000.009—
R-3m (No. 166)trigonal6.070.0000-0.024—
Fmmm (No. 69)orthorhombic5.890.00000.008—
P63/mmc (No. 194)hexagonal6.190.0002-0.0363.30
Uses

Applications

Where Xenon is used.

High-intensity discharge lampsIon thrusters for spacecraftMedical anesthesiaDark matter detection experimentsMedical imaging contrast agents
Reference

Frequently Asked Questions

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

What is Xe?

Xenon is a stable, inert noble gas used primarily in specialized lighting, medical imaging, and advanced propulsion systems.

More questions
What is Xe used for?
Xenon (Xe) is used in high-intensity discharge lamps, ion thrusters for spacecraft, medical anesthesia, dark matter detection experiments, and medical imaging contrast agents.
What is the band gap of Xe?
Xenon (Xe) has a DFT-computed band gap of 4.98–6.86 eV across 77 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is Xe a metal, semiconductor, or insulator?
DFT predicts a wide band gap of up to 6.86 eV (an insulator or wide-band-gap material).
Is Xe thermodynamically stable?
Yes — Xenon (Xe) sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of Xe?
The reference structure of Xenon (Xe) is cubic symmetry, space group Fm-3m (No. 225).
How many polymorphs of Xe are known?
77 structures of Xe are reported across 6 databases, spanning 6 distinct space groups.
What elements does Xe contain?
Xenon (Xe) contains Xe (1 element).
Where does the data for Xe come from?
Xe data is cross-referenced from oqmd, materials_project, jarvis.
Comparison

How It Compares

As a noble gas, Xenon stands as a fundamental reference point for inert, wide-gap materials. It represents the pinnacle of chemical stability within its group, serving as the benchmark for heavy, non-reactive elements in both industrial and scientific applications.

Data sources & attribution
  • 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)
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)

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