Li4Na4Se4
Li4Na4Se4 is a thermodynamically stable, semiconducting ternary compound containing lithium, sodium, and selenium.
About Li4Na4Se4
Li4Na4Se4 is a complex ternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined as semiconducting, making it a subject of interest for fundamental studies in solid-state chemistry and materials design.
As a multi-component lithium-sodium selenide, this material benefits from a well-defined structural profile across multiple databases. Its stability suggests potential for synthesis and further investigation into its physical properties for specialized electronic or ionic applications.
Key Properties
Cross-validated computational properties for Li4Na4Se4, aggregated across 3 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 Li4Na4Se4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.44 | 0.0000 | -8.126 | 3.12 |
| — | — | — | — | — | 3.02 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Li4Na4Se4 is used.
Frequently Asked Questions
Common questions about Li4Na4Se4, answered from cross-validated data.
What is Li4Na4Se4?
Li4Na4Se4 is a thermodynamically stable, semiconducting ternary compound containing lithium, sodium, and selenium.
What is Li4Na4Se4 used for?
What is the band gap of Li4Na4Se4?
Is Li4Na4Se4 a metal, semiconductor, or insulator?
Is Li4Na4Se4 thermodynamically stable?
What is the crystal structure of Li4Na4Se4?
What is the density of Li4Na4Se4?
How many polymorphs of Li4Na4Se4 are known?
What elements does Li4Na4Se4 contain?
Where does the data for Li4Na4Se4 come from?
How It Compares
As a unique ternary compound within the alkali metal selenide family, Li4Na4Se4 occupies a distinct structural niche. Unlike simpler binary chalcogenides, the integration of both lithium and sodium cations allows for a complex lattice arrangement that distinguishes it from more common, singular-cation alkali selenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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