H4As8Cd4F52

H4As8Cd4F52 is a thermodynamically stable, insulating inorganic compound composed of arsenic, cadmium, fluorine, and hydrogen.

AsCdFH
Crystal structure of H4As8Cd4F52 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About H4As8Cd4F52

H4As8Cd4F52 is a complex inorganic compound characterized by its insulating electronic nature and wide-band-gap behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of arsenic, cadmium, fluorine, and hydrogen atoms.

This material is notable for its structural complexity, as evidenced by multiple reported configurations within scientific databases. Its stability and insulating properties make it a subject of interest for fundamental materials research into multi-element framework systems.

At a glance

Key Properties

Cross-validated computational properties for H4As8Cd4F52, aggregated across 3 databases.

Band Gap

4.05 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for H4As8Cd4F52, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic4.050.0000-4.6363.52
3.38
No. 0unknown0.95
3.53
Uses

Applications

Where H4As8Cd4F52 is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about H4As8Cd4F52, answered from cross-validated data.

What is H4As8Cd4F52?

H4As8Cd4F52 is a thermodynamically stable, insulating inorganic compound composed of arsenic, cadmium, fluorine, and hydrogen.

More questions
What is H4As8Cd4F52 used for?
H4As8Cd4F52 is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of H4As8Cd4F52?
H4As8Cd4F52 has a DFT-computed band gap of 4.05 eV across 4 reported structures.
Is H4As8Cd4F52 a metal, semiconductor, or insulator?
With a wide band gap up to 4.05 eV it is an insulator / wide-band-gap material.
Is H4As8Cd4F52 thermodynamically stable?
Yes — H4As8Cd4F52 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of H4As8Cd4F52?
The lowest-energy reported polymorph of H4As8Cd4F52 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of H4As8Cd4F52?
The computed density of the ground-state structure of H4As8Cd4F52 is 3.52 g/cm³.
How many polymorphs of H4As8Cd4F52 are known?
4 structures of H4As8Cd4F52 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H4As8Cd4F52 contain?
H4As8Cd4F52 contains As, Cd, F, and H (4 elements).
Where does the data for H4As8Cd4F52 come from?
H4As8Cd4F52 data is cross-referenced from materials_project, omat24, cod.
Comparison

How It Compares

As a unique inorganic system, H4As8Cd4F52 serves as a specialized example of complex fluoride-based frameworks. While it does not share its immediate class with other listed compounds, it stands out for its thermodynamic stability and distinct electronic profile, which are critical factors for its potential integration into advanced materials design.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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