InSb3

InSb3 is a metallic, metastable binary compound composed of indium and antimony that exhibits significant structural complexity compared to traditional III-V semiconductors.

Crystal structure of InSb3 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About InSb3

InSb3 is a specialized inorganic compound belonging to the III-V semiconductor class. Unlike many of its traditional semiconducting counterparts that exhibit distinct band gaps, this material displays a metallic electronic character, marking it as a distinct deviation from standard group III-V behavior. Its structural landscape is remarkably diverse, with numerous reported configurations across various databases.

Due to its position above the thermodynamic hull, InSb3 is considered a metastable phase. Its existence and structural variety make it a subject of interest for researchers investigating non-equilibrium synthesis and the limits of phase stability in binary pnictides. This compound serves as a fascinating case study in the complex bonding environments possible between indium and antimony.

At a glance

Key Properties

Cross-validated computational properties for InSb3, aggregated across 5 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.078 eV/atom
Best (lowest) across sources

Stability

Metastable
4 DFT sources

Structures

27
5 databases, 5 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of InSb3. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

0.37 / 1.00
Trust tier: low

Hull Spread

0.158 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 InSb3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
——0.000.07800.011—
Fm-3m (No. 225)cubic0.000.1492-24.8947.30
Pm-3m (No. 221)cubic0.000.1502-24.8937.18
——0.000.18030.114—
——0.000.23580.169—
Fm-3m (No. 225)cubic0.000.23650.190—
——0.000.24000.173—
Pm-3m (No. 221)cubic0.000.24120.194—
——0.000.24630.180—
——0.000.26200.195—
P-1 (No. 2)triclinic———5.22
Pm-3m (No. 221)cubic———7.18
Uses

Applications

Where InSb3 is used.

Fundamental condensed matter researchPhase stability studiesHigh-pressure synthesis exploration
Reference

Frequently Asked Questions

Common questions about InSb3, answered from cross-validated data.

What is InSb3?

InSb3 is a metallic, metastable binary compound composed of indium and antimony that exhibits significant structural complexity compared to traditional III-V semiconductors.

More questions
What is InSb3 used for?
InSb3 is used in fundamental condensed matter research, phase stability studies, and high-pressure synthesis exploration.
What is the band gap of InSb3?
The reported DFT structures of InSb3 show no band gap. Standard DFT often misses gaps (especially in transition-metal oxides), so this is not proof the real material is a metal.
Is InSb3 a metal, semiconductor, or insulator?
DFT calculations predict no band gap. Standard DFT can miss gaps, so measurements are needed to confirm metallic behavior.
Is InSb3 thermodynamically stable?
InSb3 has a lowest energy above hull of 0.078 eV/atom (metastable).
What is the crystal structure of InSb3?
The reference structure of InSb3 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of InSb3?
The computed density of the ground-state structure of InSb3 is 7.30 g/cm³.
How many polymorphs of InSb3 are known?
27 structures of InSb3 are reported across 5 databases, spanning 5 distinct space groups.
What elements does InSb3 contain?
InSb3 contains In and Sb (2 elements).
Where does the data for InSb3 come from?
InSb3 data is cross-referenced from oqmd, materials_project, jarvis, mpaloe, nomad.
Comparison

How It Compares

Within the iii-v semiconductors class.

In contrast to conventional III-V semiconductors like AlAs, AlSb, or InP, which are typically characterized by their stable, wide-gap semiconducting properties, InSb3 stands out as a metallic outlier. While siblings such as GaN and InN are prized for their optoelectronic utility, InSb3 represents a more exotic, less stable structural arrangement that challenges the typical stoichiometric trends found in the rest of this well-studied class.

Explore

Related Compounds

Other III-V Semiconductors in the database.

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)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
  • nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)

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