La1Se2Sr1

La1Se2Sr1 is a stable, semiconducting ternary compound containing lanthanum, strontium, and selenium.

LaSeSr
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for La1Se2Sr1, aggregated across 2 databases.

Band Gap

1.97 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

27
2 databases, 13 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for La1Se2Sr1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I-42d (No. 122)tetragonal1.970.0000-21.1995.80
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)
Uses

Applications

Where La1Se2Sr1 is used.

Fundamental materials researchSolid-state chemistry studiesSemiconductor development
Reference

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.

More questions
What is La1Se2Sr1 used for?
La1Se2Sr1 is used in fundamental materials research, solid-state chemistry studies, and semiconductor development.
What is the band gap of La1Se2Sr1?
La1Se2Sr1 has a DFT-computed band gap of 1.97 eV across 27 reported structures.
Is La1Se2Sr1 a metal, semiconductor, or insulator?
With a band gap up to 1.97 eV it is a semiconductor.
Is La1Se2Sr1 thermodynamically stable?
Yes — La1Se2Sr1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of La1Se2Sr1?
The lowest-energy reported polymorph of La1Se2Sr1 is tetragonal symmetry, space group I-42d (No. 122).
What is the density of La1Se2Sr1?
The computed density of the ground-state structure of La1Se2Sr1 is 5.80 g/cm³.
How many polymorphs of La1Se2Sr1 are known?
27 structures of La1Se2Sr1 are reported across 2 databases, spanning 13 distinct space groups.
What elements does La1Se2Sr1 contain?
La1Se2Sr1 contains La, Se, and Sr (3 elements).
Where does the data for La1Se2Sr1 come from?
La1Se2Sr1 data is cross-referenced from materials_project, aflow.
Comparison

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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