CH3Zn
CH3Zn is an insulating organometallic compound noted for its metastable nature and research-oriented applications.
About CH3Zn
CH3Zn is a metal-organic species characterized by its wide-band-gap insulating electronic profile. Its composition, involving zinc coordinated with methyl groups, places it in a unique category of materials that are often investigated for their specific bonding interactions.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its limited structural data suggests it serves primarily as a subject of fundamental research into organozinc chemistry and potential synthetic precursors.
Key Properties
Cross-validated computational properties for CH3Zn, 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 CH3Zn. 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 CH3Zn, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 4.23 | 0.1549 | -5.562 | 2.19 |
| P21/c (No. 14) | monoclinic | 4.16 | 0.1569 | -5.560 | 2.34 |
| — | — | — | — | — | 2.72 |
| No. 0 | unknown | — | — | — | 0.68 |
Applications
Where CH3Zn is used.
Frequently Asked Questions
Common questions about CH3Zn, answered from cross-validated data.
What is CH3Zn?
CH3Zn is an insulating organometallic compound noted for its metastable nature and research-oriented applications.
What is CH3Zn used for?
What is the band gap of CH3Zn?
Is CH3Zn a metal, semiconductor, or insulator?
Is CH3Zn thermodynamically stable?
What is the crystal structure of CH3Zn?
What is the density of CH3Zn?
How many polymorphs of CH3Zn are known?
What elements does CH3Zn contain?
Where does the data for CH3Zn come from?
How It Compares
As a specialized organometallic species, CH3Zn represents a distinct structural configuration within the broader landscape of zinc-based compounds, serving as a baseline for understanding the challenges of stabilizing simple methyl-zinc entities.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze CH3Zn in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →