AgSO4

AgSO4 is a thermodynamically stable, semimetallic silver sulfate compound known for its structural variety.

AgOS
Crystal structure of AgSO4 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About AgSO4

AgSO4 is a distinct inorganic compound characterized by its presence on the thermodynamic convex hull, indicating high stability. Its electronic nature is defined as near-zero-gap, placing it in the semimetallic regime, which distinguishes it from typical insulating sulfate salts.

This material is notable for its structural diversity, with multiple reported configurations across research databases. Its specific electronic properties make it a subject of interest for fundamental studies in solid-state chemistry and materials science.

At a glance

Key Properties

Cross-validated computational properties for AgSO4, aggregated across 3 databases.

Band Gap

0.07 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for AgSO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic0.000.0000-9.8984.18
C2/c (No. 15)monoclinic0.000.0000-5.8334.40
P-1 (No. 2)triclinic0.000.0117-5.8214.21
P21/c (No. 14)monoclinic0.070.0338-5.7994.24
P21/c (No. 14)monoclinic0.000.0433-5.7894.26
P-1 (No. 2)Triclinic4.00
P-1 (No. 2)Triclinic4.28
P-1 (No. 2)Triclinic4.09
P-1 (No. 2)
Reference

Frequently Asked Questions

Common questions about AgSO4, answered from cross-validated data.

What is AgSO4?

AgSO4 is a thermodynamically stable, semimetallic silver sulfate compound known for its structural variety.

More questions
What is the band gap of AgSO4?
AgSO4 has a DFT-computed band gap of 0.07 eV across 9 reported structures.
Is AgSO4 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is AgSO4 thermodynamically stable?
Yes — AgSO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AgSO4?
The lowest-energy reported polymorph of AgSO4 is triclinic symmetry, space group P-1 (No. 2).
What is the density of AgSO4?
The computed density of the ground-state structure of AgSO4 is 4.18 g/cm³.
How many polymorphs of AgSO4 are known?
9 structures of AgSO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does AgSO4 contain?
AgSO4 contains Ag, O, and S (3 elements).
Where does the data for AgSO4 come from?
AgSO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique inorganic sulfate, AgSO4 occupies a singular position in materials research. Unlike traditional ionic sulfates that typically function as wide-gap insulators, this compound exhibits semimetallic behavior, marking it as a specialized material within the broader landscape of silver-based compounds.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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