Al1Se2Sr1

Al1Se2Sr1 is a stable, semiconducting ternary compound containing aluminum, selenium, and strontium.

AlSeSr
Overview

About Al1Se2Sr1

Al1Se2Sr1 is a distinct ternary compound composed of aluminum, selenium, and strontium. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its compositional space, indicating favorable formation characteristics under standard conditions.

Exhibiting semiconducting electronic behavior, this material is of interest for fundamental studies in solid-state physics and materials science. Its unique combination of elements suggests potential for specialized electronic or optoelectronic applications where specific band characteristics are required.

At a glance

Key Properties

Cross-validated computational properties for Al1Se2Sr1, aggregated across 2 databases.

Band Gap

2.98 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, 16 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Al1Se2Sr1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cccm (No. 66)orthorhombic2.980.0000-13.7394.18
P4/mmm (No. 123)
Pmmm (No. 47)
P4/mmm (No. 123)
P4/mmm (No. 123)
R-3m (No. 166)
Pmmm (No. 47)
P4mm (No. 99)
Cm (No. 8)
P4mm (No. 99)
P4/mmm (No. 123)
P4/mmm (No. 123)
Uses

Applications

Where Al1Se2Sr1 is used.

Semiconductor researchMaterials science developmentSolid-state physics studies
Reference

Frequently Asked Questions

Common questions about Al1Se2Sr1, answered from cross-validated data.

What is Al1Se2Sr1?

Al1Se2Sr1 is a stable, semiconducting ternary compound containing aluminum, selenium, and strontium.

More questions
What is Al1Se2Sr1 used for?
Al1Se2Sr1 is used in semiconductor research, materials science development, and solid-state physics studies.
What is the band gap of Al1Se2Sr1?
Al1Se2Sr1 has a DFT-computed band gap of 2.98 eV across 27 reported structures.
Is Al1Se2Sr1 a metal, semiconductor, or insulator?
With a band gap up to 2.98 eV it is a semiconductor.
Is Al1Se2Sr1 thermodynamically stable?
Yes — Al1Se2Sr1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al1Se2Sr1?
The lowest-energy reported polymorph of Al1Se2Sr1 is orthorhombic symmetry, space group Cccm (No. 66).
What is the density of Al1Se2Sr1?
The computed density of the ground-state structure of Al1Se2Sr1 is 4.18 g/cm³.
How many polymorphs of Al1Se2Sr1 are known?
27 structures of Al1Se2Sr1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Al1Se2Sr1 contain?
Al1Se2Sr1 contains Al, Se, and Sr (3 elements).
Where does the data for Al1Se2Sr1 come from?
Al1Se2Sr1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a standalone ternary phase in this study, Al1Se2Sr1 serves as a foundational example of stable aluminum-based selenide chemistry, providing a benchmark for future investigations into similar complex chalcogenide systems.

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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