Li2Na1Sb1
Li2Na1Sb1 is a stable, semiconducting ternary compound containing lithium, sodium, and antimony.
About Li2Na1Sb1
Li2Na1Sb1 is a ternary compound composed of lithium, sodium, and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, making it a subject of interest for structural studies.
This material exhibits semiconducting electronic character, which suggests potential utility in electronic and optoelectronic applications. Its stability and well-defined structural profile across multiple reported configurations highlight its significance in the fundamental study of alkali-antimonide systems.
Key Properties
Cross-validated computational properties for Li2Na1Sb1, 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 Li2Na1Sb1, 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 | 0.68 | 0.0000 | -9.217 | 3.36 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Li2Na1Sb1 is used.
Frequently Asked Questions
Common questions about Li2Na1Sb1, answered from cross-validated data.
What is Li2Na1Sb1?
Li2Na1Sb1 is a stable, semiconducting ternary compound containing lithium, sodium, and antimony.
What is Li2Na1Sb1 used for?
What is the band gap of Li2Na1Sb1?
Is Li2Na1Sb1 a metal, semiconductor, or insulator?
Is Li2Na1Sb1 thermodynamically stable?
What is the crystal structure of Li2Na1Sb1?
What is the density of Li2Na1Sb1?
How many polymorphs of Li2Na1Sb1 are known?
What elements does Li2Na1Sb1 contain?
Where does the data for Li2Na1Sb1 come from?
How It Compares
As a thermodynamically stable semiconducting compound, Li2Na1Sb1 serves as a foundational example of how alkali metals and pnictogens interact to form ordered, stable crystalline structures in the absence of other complex ternary phases.
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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