In3Sb
In3Sb is a metastable, metallic binary compound composed of indium and antimony that stands out from typical III-V semiconductors.
About In3Sb
In3Sb is a distinct member of the III-V semiconductor class, characterized by its metallic electronic nature rather than the traditional semiconducting behavior associated with its group. As a metastable phase, it represents a unique structural configuration within the indium-antimony binary system.
Its existence is supported by multiple structural reports across various databases, highlighting its significance in fundamental materials research. While it lacks the typical band gap of its peers, its specific atomic arrangement provides valuable insights into the phase stability and bonding characteristics of metal-rich pnictides.
Key Properties
Cross-validated computational properties for In3Sb, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of In3Sb. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for In3Sb, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0677 | 0.018 | — |
| — | — | 0.00 | 0.0854 | 0.019 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0950 | -23.385 | 6.84 |
| — | — | 0.00 | 0.1058 | 0.039 | — |
| — | — | 0.00 | 0.1284 | 0.062 | — |
| — | — | 0.00 | 0.1389 | 0.072 | — |
| I4/mmm (No. 139) | tetragonal | — | — | 0.000 | — |
| Pm-3m (No. 221) | cubic | — | — | — | 7.00 |
| Pm-3m (No. 221) | cubic | — | — | — | 7.01 |
| Pm-3m (No. 221) | cubic | — | — | — | 6.84 |
Applications
Where In3Sb is used.
Frequently Asked Questions
Common questions about In3Sb, answered from cross-validated data.
What is In3Sb?
In3Sb is a metastable, metallic binary compound composed of indium and antimony that stands out from typical III-V semiconductors.
What is In3Sb used for?
What is the band gap of In3Sb?
Is In3Sb a metal, semiconductor, or insulator?
Is In3Sb thermodynamically stable?
What is the crystal structure of In3Sb?
How many polymorphs of In3Sb are known?
What elements does In3Sb contain?
Where does the data for In3Sb come from?
How It Compares
Within the iii-v semiconductors class.
Unlike standard III-V semiconductors such as AlAs or GaN, which are typically wide-gap insulators or semiconductors, In3Sb exhibits metallic character. While its siblings like InP or AlSb are valued for their optoelectronic properties, In3Sb serves as a compelling study in structural metastability and non-traditional electronic states within the III-V family.
Related Compounds
Other III-V Semiconductors in the database.
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)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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