MnI2
manganese(II) iodide · manganous iodide
Manganese(II) iodide is a stable semiconducting metal halide used primarily as a chemical precursor and in specialized industrial applications.
About manganese(II) iodide
Manganese(II) iodide is a semiconducting inorganic compound that exists as a thermodynamically stable phase on the convex hull. Its structural versatility is evidenced by the numerous reported configurations found across major materials databases, reflecting its complex coordination chemistry.
This material serves as a critical precursor in various chemical synthesis pathways and is valued for its role in specialized lighting technologies. Its electronic properties and stability make it a subject of ongoing interest for researchers investigating metal-halide systems.
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.
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 MnI2. 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 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 |
| — | — | 1.12 | 0.0000 | -0.566 | — |
| P-3m1 (No. 164) | trigonal | 1.05 | 0.0000 | -0.385 | — |
| — | — | 0.00 | 0.0010 | -0.565 | — |
| — | — | 1.27 | 0.0010 | -0.565 | — |
| — | — | 1.20 | 0.0010 | -0.565 | — |
| — | — | 1.16 | 0.0023 | -0.564 | — |
| — | — | 1.18 | 0.0034 | -0.563 | — |
| — | — | 1.18 | 0.0048 | -0.561 | — |
| — | — | 1.14 | 0.0119 | -0.554 | — |
| — | — | 1.41 | 0.0183 | -0.548 | — |
| — | — | 1.29 | 0.0188 | -0.547 | — |
Applications
Where manganese(II) iodide is used.
Frequently Asked Questions
Common questions about manganese(II) iodide, answered from cross-validated data.
What is MnI2?
Manganese(II) iodide is a stable semiconducting metal halide used primarily as a chemical precursor and in specialized industrial applications.
What is MnI2 used for?
What is the band gap of MnI2?
Is MnI2 a metal, semiconductor, or insulator?
Is MnI2 thermodynamically stable?
What is the crystal structure of MnI2?
What is the density of MnI2?
How many polymorphs of MnI2 are known?
What elements does MnI2 contain?
Where does the data for MnI2 come from?
How It Compares
As a stable binary halide, manganese(II) iodide represents a fundamental building block in the study of transition metal iodides. It serves as a key reference point for understanding the structural and electronic trends within the broader class of manganese-based halide materials.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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.
Analyze MnI2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →