AlAgS2

This compound is a ternary sulfide material that belongs to a class of semiconductor crystals often studied for their optoelectronic properties. It is primarily utilized in academic and industrial research settings to explore potential applications in light-harvesting technologies and nonlinear optical devices.

AgAlS
Crystal structure of AlAgS2 (tetragonal, I-42d (No. 122))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for AlAgS2, aggregated across 3 databases.

Band Gap

1.63–1.90 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for AlAgS2, 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)tetragonal1.900.0000-11.9433.90
P3m1 (No. 156)trigonal1.710.0704-11.8734.41
R3m (No. 160)trigonal1.630.0852-11.8584.38
I-42d (No. 122)
P3m1 (No. 156)
R3m (No. 160)
P4mm (No. 99)
P3m1 (No. 156)Trigonal4.51
R3m (No. 160)Trigonal4.38
I-42d (No. 122)Tetragonal3.80
P3m1 (No. 156)Trigonal4.41
P3m1 (No. 156)Trigonal4.56
Uses

Applications

Where AlAgS2 is used.

Semiconductor researchOptoelectronicsNonlinear optical materials
Reference

Frequently Asked Questions

Common questions about AlAgS2, answered from cross-validated data.

What is AlAgS2?

This compound is a ternary sulfide material that belongs to a class of semiconductor crystals often studied for their optoelectronic properties. It is primarily utilized in academic and industrial research settings to explore potential applications in light-harvesting technologies and nonlinear optical devices.

More questions
What is AlAgS2 used for?
AlAgS2 is used in semiconductor research, optoelectronics, and nonlinear optical materials.
What is the band gap of AlAgS2?
AlAgS2 has a DFT-computed band gap of 1.63–1.90 eV across 16 reported structures.
Is AlAgS2 a metal, semiconductor, or insulator?
With a band gap up to 1.90 eV it is a semiconductor.
Is AlAgS2 thermodynamically stable?
Yes — AlAgS2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AlAgS2?
The lowest-energy reported polymorph of AlAgS2 is tetragonal symmetry, space group I-42d (No. 122).
What is the density of AlAgS2?
The computed density of the ground-state structure of AlAgS2 is 3.90 g/cm³.
How many polymorphs of AlAgS2 are known?
16 structures of AlAgS2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does AlAgS2 contain?
AlAgS2 contains Ag, Al, and S (3 elements).
Where does the data for AlAgS2 come from?
AlAgS2 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

Analyze AlAgS2 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →