Cu1In2Li1
Cu1In2Li1 is a semimetallic ternary intermetallic compound containing copper, indium, and lithium.
About Cu1In2Li1
Cu1In2Li1 is a ternary intermetallic compound composed of copper, indium, and lithium. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that bridge the behavior of metals and semiconductors.
This compound is characterized by its position above the thermodynamic hull, suggesting it may be metastable under standard conditions. Despite this, it remains a subject of interest in materials science due to the significant number of structural configurations reported in databases.
Key Properties
Cross-validated computational properties for Cu1In2Li1, 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 Cu1In2Li1, 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 | 0.03 | 1.3113 | -13.492 | 0.53 |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cu1In2Li1, answered from cross-validated data.
What is Cu1In2Li1?
Cu1In2Li1 is a semimetallic ternary intermetallic compound containing copper, indium, and lithium.
What is the band gap of Cu1In2Li1?
Is Cu1In2Li1 a metal, semiconductor, or insulator?
Is Cu1In2Li1 thermodynamically stable?
What is the crystal structure of Cu1In2Li1?
What is the density of Cu1In2Li1?
How many polymorphs of Cu1In2Li1 are known?
What elements does Cu1In2Li1 contain?
Where does the data for Cu1In2Li1 come from?
How It Compares
As a unique ternary phase, Cu1In2Li1 represents a complex interaction between transition metal, post-transition metal, and alkali metal components. Without direct structural siblings, it serves as an important case study for understanding the stability and electronic behavior of lithium-containing intermetallic systems.
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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