MnCl2
Manganese(II) chloride · Manganous chloride
Manganese(II) chloride is a stable, semiconducting inorganic salt widely utilized as a precursor in chemical manufacturing and industrial synthesis.
About Manganese(II) chloride
Manganese(II) chloride is a thermodynamically stable inorganic halide that exhibits semiconducting electronic properties. As a well-characterized material, it serves as a foundational precursor for various manganese-based chemical reactions and industrial applications.
Its structural versatility is highlighted by the extensive number of reported crystallographic configurations found across major material databases. This stability and availability make it a critical component for researchers working in inorganic synthesis and materials development.
Key Properties
Cross-validated computational properties for Manganese(II) 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 MnCl2. 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 MnCl2, 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. |
|---|---|---|---|---|---|
| — | — | 1.83 | 0.0000 | -1.333 | — |
| R-3m (No. 166) | trigonal | 1.79 | 0.0000 | -5.781 | 2.92 |
| R-3m (No. 166) | trigonal | 1.55 | 0.0000 | -1.061 | — |
| — | — | 1.98 | 0.0001 | -1.333 | — |
| — | — | 1.83 | 0.0009 | -1.332 | — |
| — | — | 0.93 | 0.0011 | -1.332 | — |
| — | — | 1.82 | 0.0015 | -1.332 | — |
| — | — | 1.85 | 0.0026 | -1.331 | — |
| — | — | 1.81 | 0.0087 | -1.325 | — |
| — | — | 1.95 | 0.0390 | -1.294 | — |
| — | — | 1.64 | 0.0397 | -1.294 | — |
| — | — | 1.84 | 0.0436 | -1.290 | — |
Applications
Where Manganese(II) chloride is used.
Frequently Asked Questions
Common questions about Manganese(II) chloride, answered from cross-validated data.
What is MnCl2?
Manganese(II) chloride is a stable, semiconducting inorganic salt widely utilized as a precursor in chemical manufacturing and industrial synthesis.
What is MnCl2 used for?
What is the band gap of MnCl2?
Is MnCl2 a metal, semiconductor, or insulator?
Is MnCl2 thermodynamically stable?
What is the crystal structure of MnCl2?
What is the density of MnCl2?
How many polymorphs of MnCl2 are known?
What elements does MnCl2 contain?
Where does the data for MnCl2 come from?
How It Compares
As a primary halide compound, Manganese(II) chloride serves as a benchmark material within the broader landscape of manganese-based salts, providing a stable and reliable reference point for chemical reactivity and structural studies.
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)
Analyze MnCl2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →