MnI2
Manganese(II) iodide · Manganous iodide
Manganese(II) iodide is an inorganic salt composed of manganese and iodine. It is primarily utilized as a precursor in chemical synthesis and as a component in specialized lighting technologies.
IMn
Overview
Key Properties
Cross-validated computational properties for Manganese(II) iodide, 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.
1.17 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.
29
3 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MnI2, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 1.17 | 0.0000 | -4.776 | 4.77 |
| C2 (No. 5) | Monoclinic | — | — | — | 9.39 |
| P1 (No. 1) | Triclinic | — | — | — | 4.38 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.78 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.11 |
| P1 (No. 1) | Triclinic | — | — | — | 8.59 |
| P3m1 (No. 156) | Trigonal | — | — | — | 4.31 |
| P1 (No. 1) | Triclinic | — | — | — | 5.20 |
| P1 (No. 1) | Triclinic | — | — | — | 5.90 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.01 |
| P-3m1 (No. 164) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 5.05 |
Uses
Applications
Where Manganese(II) iodide is used.
Chemical synthesisMetal halide lampsCatalysis
Reference
Frequently Asked Questions
Common questions about Manganese(II) iodide, answered from cross-validated data.
What is MnI2?
Manganese(II) iodide is an inorganic salt composed of manganese and iodine. It is primarily utilized as a precursor in chemical synthesis and as a component in specialized lighting technologies.
More questions
What is MnI2 used for?
Manganese(II) iodide (MnI2) is used in chemical synthesis, metal halide lamps, and catalysis.
What is the band gap of MnI2?
Manganese(II) iodide (MnI2) has a DFT-computed band gap of 1.17 eV across 29 reported structures.
Is MnI2 a metal, semiconductor, or insulator?
With a band gap up to 1.17 eV it is a semiconductor.
Is MnI2 thermodynamically stable?
Yes — Manganese(II) iodide (MnI2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MnI2?
The lowest-energy reported polymorph of Manganese(II) iodide (MnI2) is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of MnI2?
The computed density of the ground-state structure of Manganese(II) iodide (MnI2) is 4.77 g/cm³.
How many polymorphs of MnI2 are known?
29 structures of MnI2 are reported across 3 databases, spanning 8 distinct space groups.
What elements does MnI2 contain?
Manganese(II) iodide (MnI2) contains I and Mn (2 elements).
Where does the data for MnI2 come from?
MnI2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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