C4Cl8O12Pb8
This compound is a complex lead-based inorganic material containing carbon, chlorine, and oxygen. It is primarily studied in specialized chemical research contexts involving metal-organic frameworks or coordination chemistry.
CClOPb
Overview
Key Properties
Cross-validated computational properties for C4Cl8O12Pb8, 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.
3.23–3.36 eV
Range across DFT structures
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.
0.016 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for C4Cl8O12Pb8, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 3.23 | 0.0161 | -6.116 | 5.87 |
| P1 (No. 1) | triclinic | 3.36 | 0.0686 | -6.063 | 5.10 |
| P4/mbm (No. 127) | — | — | — | — | — |
| P4/mbm (No. 127) | — | — | — | — | — |
| P4/mbm (No. 127) | — | — | — | — | — |
| — | — | — | — | — | 4.05 |
Uses
Applications
Where C4Cl8O12Pb8 is used.
Chemical researchMaterials science studiesCoordination chemistry
Reference
Frequently Asked Questions
Common questions about C4Cl8O12Pb8, answered from cross-validated data.
What is C4Cl8O12Pb8?
This compound is a complex lead-based inorganic material containing carbon, chlorine, and oxygen. It is primarily studied in specialized chemical research contexts involving metal-organic frameworks or coordination chemistry.
More questions
What is C4Cl8O12Pb8 used for?
C4Cl8O12Pb8 is used in chemical research, materials science studies, and coordination chemistry.
What is the band gap of C4Cl8O12Pb8?
C4Cl8O12Pb8 has a DFT-computed band gap of 3.23–3.36 eV across 6 reported structures.
Is C4Cl8O12Pb8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.36 eV it is an insulator / wide-band-gap material.
Is C4Cl8O12Pb8 thermodynamically stable?
C4Cl8O12Pb8 has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
What is the crystal structure of C4Cl8O12Pb8?
The lowest-energy reported polymorph of C4Cl8O12Pb8 is tetragonal symmetry, space group P4/mbm (No. 127).
What is the density of C4Cl8O12Pb8?
The computed density of the ground-state structure of C4Cl8O12Pb8 is 5.87 g/cm³.
How many polymorphs of C4Cl8O12Pb8 are known?
6 structures of C4Cl8O12Pb8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C4Cl8O12Pb8 contain?
C4Cl8O12Pb8 contains C, Cl, O, and Pb (4 elements).
Where does the data for C4Cl8O12Pb8 come from?
C4Cl8O12Pb8 data is cross-referenced from materials_project, aflow, omat24.
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).
Analyze C4Cl8O12Pb8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →