InCl
Indium monochloride · Indium(I) chloride
Indium monochloride is a chemical compound composed of indium and chlorine. It is primarily utilized as a specialized intermediate in chemical synthesis and in the production of various indium-containing materials.
ClIn
Overview
Key Properties
Cross-validated computational properties for Indium monochloride, 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.
1.37–2.20 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.
148
3 databases, 24 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 2.20 | 0.0000 | -15.276 | 4.26 |
| Cmc21 (No. 36) | orthorhombic | 1.40 | 0.0016 | -15.275 | 4.00 |
| Cmcm (No. 63) | orthorhombic | 1.37 | 0.0031 | -15.273 | 4.26 |
| P1 (No. 1) | Triclinic | — | — | — | 2.62 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.26 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.13 |
| P2/m (No. 10) | Monoclinic | — | — | — | 6.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.54 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.54 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.21 |
| P1 (No. 1) | Triclinic | — | — | — | 3.51 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.21 |
Uses
Applications
Where Indium monochloride is used.
Chemical synthesisMaterials science researchIndium-based semiconductor precursor
Reference
Frequently Asked Questions
Common questions about Indium monochloride, answered from cross-validated data.
What is InCl?
Indium monochloride is a chemical compound composed of indium and chlorine. It is primarily utilized as a specialized intermediate in chemical synthesis and in the production of various indium-containing materials.
More questions
What is InCl used for?
Indium monochloride (InCl) is used in chemical synthesis, materials science research, and indium-based semiconductor precursor.
What is the band gap of InCl?
Indium monochloride (InCl) has a DFT-computed band gap of 1.37–2.20 eV across 148 reported structures.
Is InCl a metal, semiconductor, or insulator?
With a band gap up to 2.20 eV it is a semiconductor.
Is InCl thermodynamically stable?
Yes — Indium monochloride (InCl) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of InCl?
The lowest-energy reported polymorph of Indium monochloride (InCl) is cubic symmetry, space group P213 (No. 198).
What is the density of InCl?
The computed density of the ground-state structure of Indium monochloride (InCl) is 4.26 g/cm³.
How many polymorphs of InCl are known?
148 structures of InCl are reported across 3 databases, spanning 24 distinct space groups.
What elements does InCl contain?
Indium monochloride (InCl) contains Cl and In (2 elements).
Where does the data for InCl come from?
InCl 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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