Ba2Cd1Li1
Ba2Cd1Li1 is a semiconducting ternary intermetallic compound known for its structural complexity and metastable thermodynamic state.
About Ba2Cd1Li1
Ba2Cd1Li1 is a complex ternary intermetallic compound composed of barium, cadmium, and lithium. As a semiconducting material, it represents an interesting case study in the electronic behavior of multi-element metal systems, offering insights into how different atomic radii and valence electron counts influence solid-state architecture.
Despite its structural diversity, with numerous reported configurations, this compound is identified as being thermodynamically unstable relative to its constituent elements. This meta-stable nature makes it a significant subject for researchers investigating phase formation and the kinetic pathways that allow such complex structures to persist in laboratory environments.
Key Properties
Cross-validated computational properties for Ba2Cd1Li1, 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 Ba2Cd1Li1, 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 | 0.12 | 1.3421 | -0.507 | 0.34 |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba2Cd1Li1, answered from cross-validated data.
What is Ba2Cd1Li1?
Ba2Cd1Li1 is a semiconducting ternary intermetallic compound known for its structural complexity and metastable thermodynamic state.
What is the band gap of Ba2Cd1Li1?
Is Ba2Cd1Li1 a metal, semiconductor, or insulator?
Is Ba2Cd1Li1 thermodynamically stable?
What is the crystal structure of Ba2Cd1Li1?
What is the density of Ba2Cd1Li1?
How many polymorphs of Ba2Cd1Li1 are known?
What elements does Ba2Cd1Li1 contain?
Where does the data for Ba2Cd1Li1 come from?
How It Compares
As a unique ternary intermetallic, Ba2Cd1Li1 serves as a distinct example of complex metal bonding within its class. While many intermetallics occupy stable ground states, this compound highlights the prevalence of metastable phases that challenge traditional thermodynamic predictions, providing a valuable data point for understanding the limits of structural complexity in metal 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).
Analyze Ba2Cd1Li1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →