Cl4Fe1Li1

Lithium tetrachloroferrate(II)

This compound is a complex halide salt containing lithium and iron. It is primarily utilized in chemical research as a precursor or reagent for the synthesis of various iron-containing materials and organometallic complexes.

ClFeLi
Crystal structure of Cl4Fe1Li1 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Cl4Fe1Li1, aggregated across 2 databases.

Band Gap

1.27 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

2
2 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cl4Fe1Li1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic1.270.0000-4.4842.32
F-43m (No. 216)
Uses

Applications

Where Cl4Fe1Li1 is used.

Chemical synthesisMaterials science researchCatalyst precursor
Intellectual Property

Patent Landscape

3 patents reference Cl4Fe1Li1 or close compositional variants.

PatentTitleAssigneeGranted
8248032Charging system for prioritizing load consumption in a notebook computer
8263193Vacuum treatment method
8268035Process for producing refractory metal alloy powders
Reference

Frequently Asked Questions

Common questions about Cl4Fe1Li1, answered from cross-validated data.

What is Cl4Fe1Li1?

This compound is a complex halide salt containing lithium and iron. It is primarily utilized in chemical research as a precursor or reagent for the synthesis of various iron-containing materials and organometallic complexes.

More questions
What is Cl4Fe1Li1 used for?
Cl4Fe1Li1 is used in chemical synthesis, materials science research, and catalyst precursor.
What is the band gap of Cl4Fe1Li1?
Cl4Fe1Li1 has a DFT-computed band gap of 1.27 eV across 2 reported structures.
Is Cl4Fe1Li1 a metal, semiconductor, or insulator?
With a band gap up to 1.27 eV it is a semiconductor.
Is Cl4Fe1Li1 thermodynamically stable?
Yes — Cl4Fe1Li1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl4Fe1Li1?
The lowest-energy reported polymorph of Cl4Fe1Li1 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Cl4Fe1Li1?
The computed density of the ground-state structure of Cl4Fe1Li1 is 2.32 g/cm³.
How many polymorphs of Cl4Fe1Li1 are known?
2 structures of Cl4Fe1Li1 are reported across 2 databases, spanning 2 distinct space groups.
What elements does Cl4Fe1Li1 contain?
Cl4Fe1Li1 contains Cl, Fe, and Li (3 elements).
Where does the data for Cl4Fe1Li1 come from?
Cl4Fe1Li1 data is cross-referenced from materials_project, aflow.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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