H2I2O8Zn2

H2I2O8Zn2 is a metastable, insulating inorganic compound consisting of hydrogen, iodine, oxygen, and zinc.

HIOZn
Crystal structure of H2I2O8Zn2 (monoclinic, Cc (No. 9))
Ground-state structure · Materials Project
Overview

About H2I2O8Zn2

H2I2O8Zn2 is a complex inorganic compound composed of hydrogen, iodine, oxygen, and zinc. As a wide-band-gap insulator, it exhibits electronic characteristics typical of materials that do not readily conduct electricity under standard conditions.

This material is classified as metastable, indicating that it exists in a state that is not the absolute thermodynamic ground state. Its structural rarity is highlighted by its limited presence in current materials databases, making it a subject of interest for fundamental solid-state research.

At a glance

Key Properties

Cross-validated computational properties for H2I2O8Zn2, aggregated across 3 databases.

Band Gap

3.69 eV
Range across DFT structures

Energy Above Hull

0.041 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for H2I2O8Zn2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cc (No. 9)monoclinic3.690.0411-4.8794.14
Cc (No. 9)
No. 0unknown1.28
Reference

Frequently Asked Questions

Common questions about H2I2O8Zn2, answered from cross-validated data.

What is H2I2O8Zn2?

H2I2O8Zn2 is a metastable, insulating inorganic compound consisting of hydrogen, iodine, oxygen, and zinc.

More questions
What is the band gap of H2I2O8Zn2?
H2I2O8Zn2 has a DFT-computed band gap of 3.69 eV across 3 reported structures.
Is H2I2O8Zn2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.69 eV it is an insulator / wide-band-gap material.
Is H2I2O8Zn2 thermodynamically stable?
H2I2O8Zn2 has a lowest energy above hull of 0.041 eV/atom (metastable).
What is the crystal structure of H2I2O8Zn2?
The lowest-energy reported polymorph of H2I2O8Zn2 is monoclinic symmetry, space group Cc (No. 9).
What is the density of H2I2O8Zn2?
The computed density of the ground-state structure of H2I2O8Zn2 is 4.14 g/cm³.
How many polymorphs of H2I2O8Zn2 are known?
3 structures of H2I2O8Zn2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H2I2O8Zn2 contain?
H2I2O8Zn2 contains H, I, O, and Zn (4 elements).
Where does the data for H2I2O8Zn2 come from?
H2I2O8Zn2 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a unique inorganic phase, H2I2O8Zn2 occupies a specialized niche within materials science. Unlike more common, highly stable oxides or halides, this compound represents a metastable configuration that provides researchers with insights into the complex interplay between zinc-oxygen frameworks and iodine-containing species.

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).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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