Cl10P8S12Ta2
Cl10P8S12Ta2 is a semiconducting inorganic compound containing tantalum, phosphorus, sulfur, and chlorine that is theorized to be stable enough for synthesis.
About Cl10P8S12Ta2
Cl10P8S12Ta2 is a complex inorganic compound composed of chlorine, phosphorus, sulfur, and tantalum. Its electronic character identifies it as a semiconductor, positioning it as a material of interest for specialized electronic or optoelectronic research.
As a near-hull material, it is considered likely to be synthesizable under appropriate laboratory conditions. The existence of multiple reported structures across databases underscores its significance as a subject for ongoing structural and physical property investigation.
Key Properties
Cross-validated computational properties for Cl10P8S12Ta2, 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 Cl10P8S12Ta2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.26 | 0.0069 | -5.215 | 2.34 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 2.19 |
Applications
Where Cl10P8S12Ta2 is used.
Frequently Asked Questions
Common questions about Cl10P8S12Ta2, answered from cross-validated data.
What is Cl10P8S12Ta2?
Cl10P8S12Ta2 is a semiconducting inorganic compound containing tantalum, phosphorus, sulfur, and chlorine that is theorized to be stable enough for synthesis.
What is Cl10P8S12Ta2 used for?
What is the band gap of Cl10P8S12Ta2?
Is Cl10P8S12Ta2 a metal, semiconductor, or insulator?
Is Cl10P8S12Ta2 thermodynamically stable?
What is the crystal structure of Cl10P8S12Ta2?
What is the density of Cl10P8S12Ta2?
How many polymorphs of Cl10P8S12Ta2 are known?
What elements does Cl10P8S12Ta2 contain?
Where does the data for Cl10P8S12Ta2 come from?
How It Compares
As a unique inorganic assembly, this compound serves as a distinct entry in the landscape of complex chalcogenide-halide systems, offering a specific structural framework that differentiates it from more common binary or ternary semiconductors.
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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