Cu1Li1Mg2
Cu1Li1Mg2 is a semiconducting ternary compound of copper, lithium, and magnesium that is currently understood to be thermodynamically unstable.
About Cu1Li1Mg2
Cu1Li1Mg2 is a complex ternary compound composed of copper, lithium, and magnesium. It exhibits semiconducting electronic properties, positioning it as an interesting subject for fundamental research into multi-element metallic and semi-metallic systems.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its existence across multiple reported structures highlights the structural complexity inherent in these types of multi-component alloy systems.
Key Properties
Cross-validated computational properties for Cu1Li1Mg2, 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 Cu1Li1Mg2, 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 | 0.90 | 1.2394 | -4.234 | 0.21 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cu1Li1Mg2, answered from cross-validated data.
What is Cu1Li1Mg2?
Cu1Li1Mg2 is a semiconducting ternary compound of copper, lithium, and magnesium that is currently understood to be thermodynamically unstable.
What is the band gap of Cu1Li1Mg2?
Is Cu1Li1Mg2 a metal, semiconductor, or insulator?
Is Cu1Li1Mg2 thermodynamically stable?
What is the crystal structure of Cu1Li1Mg2?
What is the density of Cu1Li1Mg2?
How many polymorphs of Cu1Li1Mg2 are known?
What elements does Cu1Li1Mg2 contain?
Where does the data for Cu1Li1Mg2 come from?
How It Compares
As a unique ternary system, Cu1Li1Mg2 serves as an exploratory case study for phase stability in copper-lithium-magnesium combinations. It represents a specific point in the compositional space where electronic behavior shifts toward semiconducting characteristics, distinct from more common metallic alloys found in this chemical family.
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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