Cl4Fe8O16P4

This compound is a complex iron phosphate chloride material often studied for its magnetic properties and structural characteristics. It is primarily utilized in academic research to explore fundamental solid-state chemistry and the behavior of transition metal frameworks.

Crystal structure of Cl4Fe8O16P4 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Cl4Fe8O16P4, aggregated across 3 databases.

Band Gap

0.60–3.85 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cl4Fe8O16P4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic0.600.0000-7.6163.54
P-1 (No. 2)triclinic3.850.0003-7.6163.55
C2/c (No. 15)
3.55
Uses

Applications

Where Cl4Fe8O16P4 is used.

Solid-state chemistry researchMagnetic materials studyCrystallographic analysis
Reference

Frequently Asked Questions

Common questions about Cl4Fe8O16P4, answered from cross-validated data.

What is Cl4Fe8O16P4?

This compound is a complex iron phosphate chloride material often studied for its magnetic properties and structural characteristics. It is primarily utilized in academic research to explore fundamental solid-state chemistry and the behavior of transition metal frameworks.

More questions
What is Cl4Fe8O16P4 used for?
Cl4Fe8O16P4 is used in solid-state chemistry research, magnetic materials study, and crystallographic analysis.
What is the band gap of Cl4Fe8O16P4?
Cl4Fe8O16P4 has a DFT-computed band gap of 0.60–3.85 eV across 4 reported structures.
Is Cl4Fe8O16P4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.85 eV it is an insulator / wide-band-gap material.
Is Cl4Fe8O16P4 thermodynamically stable?
Yes — Cl4Fe8O16P4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl4Fe8O16P4?
The lowest-energy reported polymorph of Cl4Fe8O16P4 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Cl4Fe8O16P4?
The computed density of the ground-state structure of Cl4Fe8O16P4 is 3.54 g/cm³.
How many polymorphs of Cl4Fe8O16P4 are known?
4 structures of Cl4Fe8O16P4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cl4Fe8O16P4 contain?
Cl4Fe8O16P4 contains Cl, Fe, O, and P (4 elements).
Where does the data for Cl4Fe8O16P4 come from?
Cl4Fe8O16P4 data is cross-referenced from materials_project, aflow, omat24.
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Related Compounds

Other Transition-Metal Phosphates in the database.

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).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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