Cl12O8Re4
Cl12O8Re4 is a thermodynamically stable, semiconducting rhenium oxychloride used in advanced materials research.
About Cl12O8Re4
Cl12O8Re4 is a complex inorganic compound composed of rhenium, oxygen, and chlorine. As a semiconducting material, it occupies a specialized niche in solid-state chemistry where electronic properties are dictated by its precise atomic arrangement.
This compound is notable for its thermodynamic stability, as it resides on the convex hull of its constituent elements. Its existence across multiple reported structures highlights its significance as a robust subject for investigation in materials science.
Key Properties
Cross-validated computational properties for Cl12O8Re4, 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 Cl12O8Re4, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 1.86 | 0.0000 | -6.148 | 4.04 |
| — | — | — | — | — | 3.37 |
| Pnnm (No. 58) | — | — | — | — | — |
Applications
Where Cl12O8Re4 is used.
Frequently Asked Questions
Common questions about Cl12O8Re4, answered from cross-validated data.
What is Cl12O8Re4?
Cl12O8Re4 is a thermodynamically stable, semiconducting rhenium oxychloride used in advanced materials research.
What is Cl12O8Re4 used for?
What is the band gap of Cl12O8Re4?
Is Cl12O8Re4 a metal, semiconductor, or insulator?
Is Cl12O8Re4 thermodynamically stable?
What is the crystal structure of Cl12O8Re4?
What is the density of Cl12O8Re4?
How many polymorphs of Cl12O8Re4 are known?
What elements does Cl12O8Re4 contain?
Where does the data for Cl12O8Re4 come from?
How It Compares
As a unique rhenium-based oxychloride, this compound serves as a distinct reference point for exploring the electronic and structural behavior of heavy transition metal halides and oxides. It represents a specific stoichiometry that provides insight into the stability of complex coordination environments within this chemical family.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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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