Cl2Re1Te1
Cl2Re1Te1 is a stable, semiconducting ternary compound containing rhenium, tellurium, and chlorine atoms.
About Cl2Re1Te1
Cl2Re1Te1 is a distinct inorganic compound composed of rhenium, tellurium, and chlorine. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.
This material exhibits semiconducting electronic character, making it an intriguing candidate for specialized solid-state applications. Its structural complexity is highlighted by a significant number of reported configurations, indicating a rich landscape for crystallographic research.
Key Properties
Cross-validated computational properties for Cl2Re1Te1, aggregated across 2 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 Cl2Re1Te1, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 2.15 | 0.0000 | -4.728 | 4.99 |
| Pmmm (No. 47) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Cl2Re1Te1 is used.
Frequently Asked Questions
Common questions about Cl2Re1Te1, answered from cross-validated data.
What is Cl2Re1Te1?
Cl2Re1Te1 is a stable, semiconducting ternary compound containing rhenium, tellurium, and chlorine atoms.
What is Cl2Re1Te1 used for?
What is the band gap of Cl2Re1Te1?
Is Cl2Re1Te1 a metal, semiconductor, or insulator?
Is Cl2Re1Te1 thermodynamically stable?
What is the crystal structure of Cl2Re1Te1?
What is the density of Cl2Re1Te1?
How many polymorphs of Cl2Re1Te1 are known?
What elements does Cl2Re1Te1 contain?
Where does the data for Cl2Re1Te1 come from?
How It Compares
As a unique ternary halide-chalcogenide, Cl2Re1Te1 occupies a specialized niche in materials science. Without direct structural siblings in this specific grouping, it serves as a primary reference point for understanding the interplay between transition metal, chalcogen, and halogen bonding in stable semiconducting 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).
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