AsLiSr
AsLiSr is a stable semiconducting ternary compound consisting of arsenic, lithium, and strontium.
About AsLiSr
AsLiSr is a distinct ternary compound composed of arsenic, lithium, and strontium. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within its elemental system.
This material exhibits semiconducting electronic character, making it a subject of interest for fundamental materials research. Its stability suggests potential for controlled synthesis and integration into advanced electronic or optoelectronic device architectures.
Key Properties
Cross-validated computational properties for AsLiSr, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AsLiSr. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for AsLiSr, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for AsLiSr, 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 | 1.03 | 0.0000 | -11.946 | 4.04 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.06 |
| — | — | — | — | — | 3.78 |
Applications
Where AsLiSr is used.
Frequently Asked Questions
Common questions about AsLiSr, answered from cross-validated data.
What is AsLiSr?
AsLiSr is a stable semiconducting ternary compound consisting of arsenic, lithium, and strontium.
What is AsLiSr used for?
What is the band gap of AsLiSr?
Is AsLiSr a metal, semiconductor, or insulator?
Is AsLiSr thermodynamically stable?
What is the crystal structure of AsLiSr?
What is the density of AsLiSr?
How many polymorphs of AsLiSr are known?
What elements does AsLiSr contain?
Where does the data for AsLiSr come from?
How It Compares
As a unique ternary phase, AsLiSr occupies a specialized position in the landscape of lithium-based pnictides, serving as a critical reference point for understanding the structural and electronic trends within this specific chemical family.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)
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