InCl
indium(I) chloride · indium monochloride
Indium monochloride is a stable, semiconducting binary compound of indium and chlorine used primarily as a chemical precursor.
About indium(I) chloride
Indium monochloride is a distinct binary halide that occupies a stable position on the thermodynamic convex hull. As a semiconducting material, it exhibits electronic properties that distinguish it from the more common trivalent indium species, making it a subject of significant interest in inorganic chemistry research.
With a high degree of structural diversity reported across multiple databases, this compound serves as a critical building block for specialized chemical vapor transport processes and thin-film deposition. Its stability and electronic character allow it to function as a versatile precursor in the synthesis of complex indium-based materials.
Key Properties
Cross-validated computational properties for indium(I) chloride, aggregated across 3 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 InCl. 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 InCl, 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. |
|---|---|---|---|---|---|
| — | — | 2.28 | 0.0000 | -1.013 | — |
| P213 (No. 198) | cubic | 2.19 | 0.0000 | -3.421 | 4.26 |
| Cmcm (No. 63) | orthorhombic | 1.59 | 0.0000 | -0.917 | — |
| Cmcm (No. 63) | orthorhombic | 1.59 | 0.0000 | -0.917 | — |
| Cmcm (No. 63) | orthorhombic | 1.59 | 0.0000 | -0.917 | — |
| Cmc21 (No. 36) | orthorhombic | 1.40 | 0.0016 | -3.419 | 4.00 |
| — | — | 1.55 | 0.0018 | -1.012 | — |
| — | — | 1.47 | 0.0019 | -1.012 | — |
| — | — | 1.47 | 0.0019 | -1.012 | — |
| Cmcm (No. 63) | orthorhombic | 1.37 | 0.0031 | -3.418 | 4.26 |
| P4/nmm (No. 129) | tetragonal | 2.69 | 0.0089 | -0.908 | — |
| P21/m (No. 11) | monoclinic | 1.53 | 0.0188 | -0.899 | — |
Applications
Where indium(I) chloride is used.
Frequently Asked Questions
Common questions about indium(I) chloride, answered from cross-validated data.
What is InCl?
Indium monochloride is a stable, semiconducting binary compound of indium and chlorine used primarily as a chemical precursor.
What is InCl used for?
What is the band gap of InCl?
Is InCl a metal, semiconductor, or insulator?
Is InCl thermodynamically stable?
What is the crystal structure of InCl?
What is the density of InCl?
How many polymorphs of InCl are known?
What elements does InCl contain?
Where does the data for InCl come from?
How It Compares
As a primary representative of the indium-halide system, indium monochloride serves as a fundamental reference point for understanding low-valent indium chemistry. Unlike higher-valent counterparts, its unique electronic configuration provides a distinct pathway for chemical reactivity and structural formation that is not accessible in more oxidized indium compounds.
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.
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