InCl2
Indium dichloride is an inorganic compound containing indium in a mixed oxidation state. It is primarily utilized as a precursor in the synthesis of other indium-based materials and as a specialized reagent in chemical research.
ClIn
Overview
Key Properties
Cross-validated computational properties for InCl2, aggregated across 4 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.
3.02 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
78
4 databases, 18 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for InCl2, 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. |
|---|---|---|---|---|---|
| Pnna (No. 52) | orthorhombic | 3.02 | 0.0000 | -12.770 | 3.24 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.36 |
| P1 (No. 1) | Triclinic | — | — | — | 4.91 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.03 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.62 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.94 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.36 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.60 |
| P1 (No. 1) | Triclinic | — | — | — | 3.64 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.90 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.99 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.24 |
Uses
Applications
Where InCl2 is used.
Chemical synthesisMaterials science researchPrecursor for indium compounds
Reference
Frequently Asked Questions
Common questions about InCl2, answered from cross-validated data.
What is InCl2?
Indium dichloride is an inorganic compound containing indium in a mixed oxidation state. It is primarily utilized as a precursor in the synthesis of other indium-based materials and as a specialized reagent in chemical research.
More questions
What is InCl2 used for?
InCl2 is used in chemical synthesis, materials science research, and precursor for indium compounds.
What is the band gap of InCl2?
InCl2 has a DFT-computed band gap of 3.02 eV across 78 reported structures.
Is InCl2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.02 eV it is an insulator / wide-band-gap material.
Is InCl2 thermodynamically stable?
Yes — InCl2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of InCl2?
The lowest-energy reported polymorph of InCl2 is orthorhombic symmetry, space group Pnna (No. 52).
What is the density of InCl2?
The computed density of the ground-state structure of InCl2 is 3.24 g/cm³.
How many polymorphs of InCl2 are known?
78 structures of InCl2 are reported across 4 databases, spanning 18 distinct space groups.
What elements does InCl2 contain?
InCl2 contains Cl and In (2 elements).
Where does the data for InCl2 come from?
InCl2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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