Cd2Li1Y1
Cd2Li1Y1 is a semimetallic ternary intermetallic compound consisting of cadmium, lithium, and yttrium.
About Cd2Li1Y1
Cd2Li1Y1 is a ternary intermetallic compound composed of cadmium, lithium, and yttrium. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that often demonstrate unique charge carrier dynamics.
Due to its position above the thermodynamic hull, this compound is considered metastable. Its existence across multiple reported structures suggests a complex phase landscape that remains a subject of interest for researchers investigating non-equilibrium material synthesis.
Key Properties
Cross-validated computational properties for Cd2Li1Y1, 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 Cd2Li1Y1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.10 | 1.6858 | -1.173 | 0.40 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cd2Li1Y1, answered from cross-validated data.
What is Cd2Li1Y1?
Cd2Li1Y1 is a semimetallic ternary intermetallic compound consisting of cadmium, lithium, and yttrium.
What is the band gap of Cd2Li1Y1?
Is Cd2Li1Y1 a metal, semiconductor, or insulator?
Is Cd2Li1Y1 thermodynamically stable?
What is the crystal structure of Cd2Li1Y1?
What is the density of Cd2Li1Y1?
How many polymorphs of Cd2Li1Y1 are known?
What elements does Cd2Li1Y1 contain?
Where does the data for Cd2Li1Y1 come from?
How It Compares
As a unique ternary phase, Cd2Li1Y1 represents a specialized composition within the broader landscape of cadmium-lithium-yttrium intermetallics, serving as a distinct structural case study for how these elements arrange in semimetallic configurations.
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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