Cd2Li1Sc1
Cd2Li1Sc1 is a metastable, semimetallic ternary compound composed of cadmium, lithium, and scandium.
About Cd2Li1Sc1
Cd2Li1Sc1 is a ternary intermetallic compound composed of cadmium, lithium, and scandium. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that bridge the gap between conductors and semiconductors. The compound is characterized by its position above the thermodynamic hull, suggesting it is a metastable phase. Its structural complexity is highlighted by a significant number of reported configurations within materials databases, reflecting its interest to researchers exploring diverse atomic arrangements.
Key Properties
Cross-validated computational properties for Cd2Li1Sc1, 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 Cd2Li1Sc1, 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 | 0.05 | 1.6270 | -12.172 | 0.36 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Cd2Li1Sc1 is used.
Frequently Asked Questions
Common questions about Cd2Li1Sc1, answered from cross-validated data.
What is Cd2Li1Sc1?
Cd2Li1Sc1 is a metastable, semimetallic ternary compound composed of cadmium, lithium, and scandium.
What is Cd2Li1Sc1 used for?
What is the band gap of Cd2Li1Sc1?
Is Cd2Li1Sc1 a metal, semiconductor, or insulator?
Is Cd2Li1Sc1 thermodynamically stable?
What is the crystal structure of Cd2Li1Sc1?
What is the density of Cd2Li1Sc1?
How many polymorphs of Cd2Li1Sc1 are known?
What elements does Cd2Li1Sc1 contain?
Where does the data for Cd2Li1Sc1 come from?
How It Compares
As a unique ternary phase, Cd2Li1Sc1 occupies a distinct niche in solid-state chemistry. Without direct structural siblings in this specific class, it serves as a primary example of how combining heavy transition metals like cadmium and scandium with light alkali metals like lithium can yield complex, semimetallic electronic environments.
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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