AgClO4

Silver perchlorate · Perchloric acid silver salt

Silver perchlorate is an insulating, stable inorganic salt primarily used as a versatile reagent in chemical synthesis and laboratory applications.

AgClO
Crystal structure of AgClO4 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About Silver perchlorate

Silver perchlorate is a well-characterized inorganic compound that exists as a thermodynamically stable phase. Its electronic structure is defined by a wide band gap, classifying it as an insulator under standard conditions.

Due to its high solubility and reactivity, it serves as a critical reagent in organic and inorganic synthesis. It is frequently employed in laboratories to facilitate the precipitation of halides or to act as a source of silver ions in complex chemical transformations.

At a glance

Key Properties

Cross-validated computational properties for Silver perchlorate, aggregated across 6 databases.

Band Gap

2.37–3.29 eV
Range across DFT structures · ground state: insulator

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

Stable
4 DFT sources

Structures

31
6 databases, 6 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of AgClO4. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

0.11 / 1.00
Trust tier: low

Hull Spread

0.222 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

All match
Crystallography

Reported Structures

Lowest-energy structures reported for AgClO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
——2.860.0000-0.281—
I-42m (No. 121)tetragonal2.610.0000-4.4954.23
P21/m (No. 11)monoclinic3.290.0077-4.4874.17
Pnma (No. 62)orthorhombic2.680.0255-4.4694.12
——2.750.0358-0.246—
P21/m (No. 11)monoclinic2.850.0437-4.4514.03
F-43m (No. 216)cubic2.370.1166-4.3783.48
——2.750.1322-0.149—
I-42m (No. 121)tetragonal2.510.22210.057—
I-42m (No. 121)tetragonal2.510.22210.057—
I-42m (No. 121)tetragonal2.510.22220.057—
I-42m (No. 121)tetragonal2.510.22220.057—
Uses

Applications

Where Silver perchlorate is used.

Organic synthesis catalystPrecipitating agent for halidesLaboratory reagent for silver ion delivery
Reference

Frequently Asked Questions

Common questions about Silver perchlorate, answered from cross-validated data.

What is AgClO4?

Silver perchlorate is an insulating, stable inorganic salt primarily used as a versatile reagent in chemical synthesis and laboratory applications.

More questions
What is AgClO4 used for?
Silver perchlorate (AgClO4) is used in organic synthesis catalyst, precipitating agent for halides, and laboratory reagent for silver ion delivery.
What is the band gap of AgClO4?
Silver perchlorate (AgClO4) has a DFT-computed band gap of 2.37–3.29 eV across 31 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is AgClO4 a metal, semiconductor, or insulator?
DFT predicts a wide band gap of up to 3.29 eV (an insulator or wide-band-gap material).
Is AgClO4 thermodynamically stable?
Yes — Silver perchlorate (AgClO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of AgClO4?
The reference structure of Silver perchlorate (AgClO4) is cubic symmetry, space group Fm-3m (No. 225).
What is the density of AgClO4?
The computed density of the ground-state structure of Silver perchlorate (AgClO4) is 3.96 g/cm³.
How many polymorphs of AgClO4 are known?
31 structures of AgClO4 are reported across 6 databases, spanning 6 distinct space groups.
What elements does AgClO4 contain?
Silver perchlorate (AgClO4) contains Ag, Cl, and O (3 elements).
Where does the data for AgClO4 come from?
AgClO4 data is cross-referenced from oqmd, materials_project, jarvis, mpaloe, cod, nomad.
Comparison

How It Compares

As a distinct inorganic salt, silver perchlorate occupies a unique role in chemical synthesis compared to other silver-based compounds. While many silver salts are valued for their stability or conductivity, this compound is specifically prized for its high solubility in both aqueous and organic solvents, making it a versatile tool for synthetic chemists.

Data sources & attribution
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
  • cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
  • nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)

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