Li2SiSr
Li2SiSr is a semiconducting ternary compound containing lithium, silicon, and strontium that exhibits multiple structural phases.
About Li2SiSr
Li2SiSr is a complex ternary compound composed of lithium, silicon, and strontium. As a semiconducting material, it represents a unique intersection of alkali, alkaline-earth, and metalloid elements, offering a distinct electronic structure that distinguishes it from simpler binary silicides.
This material is characterized by its position above the thermodynamic hull, suggesting it may be metastable under standard conditions. Despite this, it remains a subject of scientific interest due to the diverse structural configurations reported across multiple materials databases, highlighting the intricate bonding landscape of lithium-based silicides.
Key Properties
Cross-validated computational properties for Li2SiSr, 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 Li2SiSr, 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 | 0.19 | 1.6537 | -1.340 | 0.16 |
| — | — | — | — | — | 2.46 |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.04 |
| — | — | — | — | — | — |
Frequently Asked Questions
Common questions about Li2SiSr, answered from cross-validated data.
What is Li2SiSr?
Li2SiSr is a semiconducting ternary compound containing lithium, silicon, and strontium that exhibits multiple structural phases.
What is the band gap of Li2SiSr?
Is Li2SiSr a metal, semiconductor, or insulator?
Is Li2SiSr thermodynamically stable?
What is the crystal structure of Li2SiSr?
What is the density of Li2SiSr?
How many polymorphs of Li2SiSr are known?
What elements does Li2SiSr contain?
Where does the data for Li2SiSr come from?
How It Compares
As a ternary lithium-strontium silicide, Li2SiSr occupies a specialized niche in materials science. Unlike common binary silicides that often exhibit high thermodynamic stability, this compound demonstrates the complexity inherent in multi-element systems where balancing the electronic contributions of lithium and strontium with silicon creates a unique, albeit potentially unstable, structural framework.
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).
- alexandria — Data from alexandria.
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