Cl2F2O14Pb4Se4Ti2
Cl2F2O14Pb4Se4Ti2 is a thermodynamically stable, semiconducting inorganic compound composed of lead, selenium, titanium, chlorine, fluorine, and oxygen.
About Cl2F2O14Pb4Se4Ti2
Cl2F2O14Pb4Se4Ti2 is a complex inorganic compound that exhibits semiconducting electronic properties. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement of lead, selenium, titanium, chlorine, fluorine, and oxygen atoms.
This material is of interest to researchers investigating multi-anion systems and intricate structural architectures. Its stability suggests potential for specialized applications where complex coordination environments are required for advanced electronic or optical functionality.
Key Properties
Cross-validated computational properties for Cl2F2O14Pb4Se4Ti2, 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.
Reported Structures
Lowest-energy structures reported for Cl2F2O14Pb4Se4Ti2, 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 (No. 4) | monoclinic | 2.45 | 0.0000 | -6.338 | 5.55 |
| No. 0 | unknown | — | — | — | 2.93 |
| P21 (No. 4) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cl2F2O14Pb4Se4Ti2, answered from cross-validated data.
What is Cl2F2O14Pb4Se4Ti2?
Cl2F2O14Pb4Se4Ti2 is a thermodynamically stable, semiconducting inorganic compound composed of lead, selenium, titanium, chlorine, fluorine, and oxygen.
What is the band gap of Cl2F2O14Pb4Se4Ti2?
Is Cl2F2O14Pb4Se4Ti2 a metal, semiconductor, or insulator?
Is Cl2F2O14Pb4Se4Ti2 thermodynamically stable?
What is the crystal structure of Cl2F2O14Pb4Se4Ti2?
What is the density of Cl2F2O14Pb4Se4Ti2?
How many polymorphs of Cl2F2O14Pb4Se4Ti2 are known?
What elements does Cl2F2O14Pb4Se4Ti2 contain?
Where does the data for Cl2F2O14Pb4Se4Ti2 come from?
How It Compares
As a unique multi-element compound, this material occupies a distinct position in the landscape of inorganic chemistry, serving as a representative example of how diverse anionic and cationic species can combine to form a stable, semiconducting solid-state structure.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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