Cd1In1Se2
Cd1In1Se2 is a stable, semiconducting ternary chalcogenide compound composed of cadmium, indium, and selenium.
About Cd1In1Se2
Cd1In1Se2 is a thermodynamically stable compound that occupies a position on the convex hull, indicating robust structural integrity. As a semiconducting material, it possesses electronic properties that make it a subject of interest for researchers investigating complex chalcogenide systems.
With numerous reported structures, this material is well-documented in crystallographic databases. Its unique combination of cadmium, indium, and selenium allows for versatile bonding arrangements, positioning it as a significant candidate for fundamental studies in solid-state physics and materials engineering.
Key Properties
Cross-validated computational properties for Cd1In1Se2, 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 Cd1In1Se2, 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 | 0.96 | 0.0000 | -3.757 | 5.43 |
| I-42m (No. 121) | tetragonal | 0.77 | 0.0027 | -3.755 | 5.48 |
| P-42m (No. 111) | tetragonal | 0.87 | 0.0042 | -3.753 | 5.44 |
| Fd-3m (No. 227) | cubic | 0.06 | 0.0407 | -3.717 | 5.77 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.2044 | -3.553 | 6.06 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Cd1In1Se2 is used.
Frequently Asked Questions
Common questions about Cd1In1Se2, answered from cross-validated data.
What is Cd1In1Se2?
Cd1In1Se2 is a stable, semiconducting ternary chalcogenide compound composed of cadmium, indium, and selenium.
What is Cd1In1Se2 used for?
What is the band gap of Cd1In1Se2?
Is Cd1In1Se2 a metal, semiconductor, or insulator?
Is Cd1In1Se2 thermodynamically stable?
What is the crystal structure of Cd1In1Se2?
What is the density of Cd1In1Se2?
How many polymorphs of Cd1In1Se2 are known?
What elements does Cd1In1Se2 contain?
Where does the data for Cd1In1Se2 come from?
How It Compares
As a distinct member of the cadmium-indium-selenide family, Cd1In1Se2 serves as a foundational example of how ternary chalcogenides can achieve thermodynamic stability. It represents a critical reference point for understanding the phase space of this material class, particularly regarding how stoichiometry influences semiconducting behavior.
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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