Cl36P4Te4
Cl36P4Te4 is a thermodynamically stable semiconducting compound composed of chlorine, phosphorus, and tellurium.
About Cl36P4Te4
Cl36P4Te4 is a complex inorganic compound composed of chlorine, phosphorus, and tellurium. As a thermodynamically stable material situated on the convex hull, it represents a well-defined phase within its chemical system. Its electronic character as a semiconductor makes it an intriguing subject for research into specialized electronic and optoelectronic applications.
The material is characterized by its structural diversity, with multiple reported configurations across scientific databases. Its unique elemental combination allows for distinct bonding environments, positioning it as a significant candidate for fundamental studies in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for Cl36P4Te4, 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 Cl36P4Te4, 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. |
|---|---|---|---|---|---|
| Ima2 (No. 46) | orthorhombic | 1.80 | 0.0000 | -8.849 | 2.45 |
| Ima2 (No. 46) | — | — | — | — | — |
| — | — | — | — | — | 2.20 |
Applications
Where Cl36P4Te4 is used.
Frequently Asked Questions
Common questions about Cl36P4Te4, answered from cross-validated data.
What is Cl36P4Te4?
Cl36P4Te4 is a thermodynamically stable semiconducting compound composed of chlorine, phosphorus, and tellurium.
What is Cl36P4Te4 used for?
What is the band gap of Cl36P4Te4?
Is Cl36P4Te4 a metal, semiconductor, or insulator?
Is Cl36P4Te4 thermodynamically stable?
What is the crystal structure of Cl36P4Te4?
What is the density of Cl36P4Te4?
How many polymorphs of Cl36P4Te4 are known?
What elements does Cl36P4Te4 contain?
Where does the data for Cl36P4Te4 come from?
How It Compares
As a unique phase within its chemical system, Cl36P4Te4 serves as a benchmark for stability and structural complexity. It stands as a distinct example of how multi-elemental halides can achieve thermodynamic equilibrium, providing a foundational reference point for future investigations into similar phosphorus-tellurium-chlorine frameworks.
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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