La1Se2Sr1
La1Se2Sr1 is a stable, semiconducting ternary compound containing lanthanum, strontium, and selenium.
About La1Se2Sr1
La1Se2Sr1 is a complex ternary compound composed of lanthanum, strontium, and selenium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is well-suited for further investigation into its electronic and physical properties. Its semiconducting nature makes it a subject of interest for researchers exploring new functional materials. The material is characterized by a significant number of reported structures, indicating a rich landscape of potential atomic configurations that can be accessed under varying conditions. This structural diversity is a key factor in its utility for fundamental studies in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for La1Se2Sr1, 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 La1Se2Sr1, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 1.97 | 0.0000 | -21.199 | 5.80 |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where La1Se2Sr1 is used.
Frequently Asked Questions
Common questions about La1Se2Sr1, answered from cross-validated data.
What is La1Se2Sr1?
La1Se2Sr1 is a stable, semiconducting ternary compound containing lanthanum, strontium, and selenium.
What is La1Se2Sr1 used for?
What is the band gap of La1Se2Sr1?
Is La1Se2Sr1 a metal, semiconductor, or insulator?
Is La1Se2Sr1 thermodynamically stable?
What is the crystal structure of La1Se2Sr1?
What is the density of La1Se2Sr1?
How many polymorphs of La1Se2Sr1 are known?
What elements does La1Se2Sr1 contain?
Where does the data for La1Se2Sr1 come from?
How It Compares
As a distinct ternary chalcogenide, La1Se2Sr1 serves as a unique entry in the landscape of lanthanum-strontium-selenium materials, providing a stable platform for understanding how these specific elements interact to produce semiconducting behavior.
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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