Cd1Li1Mg2
This is a ternary intermetallic compound composed of cadmium, lithium, and magnesium. It is primarily studied in materials science research for its structural properties and potential use in specialized alloy development.
CdLiMg
Overview
Key Properties
Cross-validated computational properties for Cd1Li1Mg2, 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.
0.06 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
2 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cd1Li1Mg2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -1.669 | 3.55 |
| Immm (No. 71) | orthorhombic | 0.06 | 1.1288 | -0.540 | 0.23 |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Uses
Applications
Where Cd1Li1Mg2 is used.
Materials science researchAlloy development studies
Reference
Frequently Asked Questions
Common questions about Cd1Li1Mg2, answered from cross-validated data.
What is Cd1Li1Mg2?
This is a ternary intermetallic compound composed of cadmium, lithium, and magnesium. It is primarily studied in materials science research for its structural properties and potential use in specialized alloy development.
More questions
What is Cd1Li1Mg2 used for?
Cd1Li1Mg2 is used in materials science research and alloy development studies.
What is the band gap of Cd1Li1Mg2?
Cd1Li1Mg2 has a DFT-computed band gap of 0.06 eV across 26 reported structures.
Is Cd1Li1Mg2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cd1Li1Mg2 thermodynamically stable?
Yes — Cd1Li1Mg2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cd1Li1Mg2?
The lowest-energy reported polymorph of Cd1Li1Mg2 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Cd1Li1Mg2?
The computed density of the ground-state structure of Cd1Li1Mg2 is 3.55 g/cm³.
How many polymorphs of Cd1Li1Mg2 are known?
26 structures of Cd1Li1Mg2 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Cd1Li1Mg2 contain?
Cd1Li1Mg2 contains Cd, Li, and Mg (3 elements).
Where does the data for Cd1Li1Mg2 come from?
Cd1Li1Mg2 data is cross-referenced from materials_project, aflow.
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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