Cl2O18Re2S4
Cl2O18Re2S4 is a thermodynamically stable, semiconducting inorganic compound known for its diverse structural configurations.
About Cl2O18Re2S4
Cl2O18Re2S4 is a complex inorganic compound characterized by its semiconducting electronic nature. Its presence on the convex hull indicates that it is a thermodynamically stable phase, making it a significant subject for structural analysis and material characterization studies. The compound exhibits a rich structural landscape, with multiple reported configurations across various databases, highlighting its versatility in solid-state chemistry. This complexity suggests a multifaceted potential for interaction within advanced electronic or chemical systems where stable, semiconducting materials are required.
Key Properties
Cross-validated computational properties for Cl2O18Re2S4, aggregated across 4 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 Cl2O18Re2S4, 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 | 2.40 | 0.0000 | -6.871 | 3.29 |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.62 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 3.12 |
| — | — | — | — | — | 3.12 |
Applications
Where Cl2O18Re2S4 is used.
Frequently Asked Questions
Common questions about Cl2O18Re2S4, answered from cross-validated data.
What is Cl2O18Re2S4?
Cl2O18Re2S4 is a thermodynamically stable, semiconducting inorganic compound known for its diverse structural configurations.
What is Cl2O18Re2S4 used for?
What is the band gap of Cl2O18Re2S4?
Is Cl2O18Re2S4 a metal, semiconductor, or insulator?
Is Cl2O18Re2S4 thermodynamically stable?
What is the crystal structure of Cl2O18Re2S4?
What is the density of Cl2O18Re2S4?
How many polymorphs of Cl2O18Re2S4 are known?
What elements does Cl2O18Re2S4 contain?
Where does the data for Cl2O18Re2S4 come from?
How It Compares
As a unique inorganic entity, Cl2O18Re2S4 represents a distinct structural arrangement within its chemical family. While it currently stands as a singular entry in this context, its stability and semiconducting behavior position it as a foundational reference point for future research into complex rhenium-sulfur-chlorine-oxygen systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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