Cd1Li2Tl1
Cd1Li2Tl1 is a semimetallic ternary intermetallic compound composed of cadmium, lithium, and thallium that is considered a candidate for experimental synthesis.
About Cd1Li2Tl1
Cd1Li2Tl1 is a complex ternary intermetallic compound composed of cadmium, lithium, and thallium. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique regime where conduction and valence bands meet, influencing its potential transport properties.
From a structural standpoint, this material is considered near-hull stable, indicating that it is energetically favorable enough to be a target for laboratory synthesis. With multiple reported structural configurations, it represents a significant subject for researchers exploring the phase space of lithium-bearing ternary alloys.
Key Properties
Cross-validated computational properties for Cd1Li2Tl1, 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 Cd1Li2Tl1, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.00 | 0.0017 | -19.788 | 7.06 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0076 | -19.782 | 7.25 |
| Immm (No. 71) | orthorhombic | 0.03 | 1.1057 | -18.684 | 0.48 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
Applications
Where Cd1Li2Tl1 is used.
Frequently Asked Questions
Common questions about Cd1Li2Tl1, answered from cross-validated data.
What is Cd1Li2Tl1?
Cd1Li2Tl1 is a semimetallic ternary intermetallic compound composed of cadmium, lithium, and thallium that is considered a candidate for experimental synthesis.
What is Cd1Li2Tl1 used for?
What is the band gap of Cd1Li2Tl1?
Is Cd1Li2Tl1 a metal, semiconductor, or insulator?
Is Cd1Li2Tl1 thermodynamically stable?
What is the crystal structure of Cd1Li2Tl1?
What is the density of Cd1Li2Tl1?
How many polymorphs of Cd1Li2Tl1 are known?
What elements does Cd1Li2Tl1 contain?
Where does the data for Cd1Li2Tl1 come from?
How It Compares
As a unique ternary intermetallic, Cd1Li2Tl1 occupies a distinct position in materials science where its semimetallic nature and structural diversity make it a compelling subject for study, particularly in the context of lithium-rich alloy systems that lack extensive classification.
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).
Analyze Cd1Li2Tl1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →