Br28Hg24Sb20

This complex inorganic compound is a crystalline material composed of mercury, antimony, and bromine. It is primarily studied in the field of solid-state chemistry for its unique structural properties and potential electronic characteristics.

BrHgSb
Crystal structure of Br28Hg24Sb20 (cubic, Pa-3 (No. 205))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Br28Hg24Sb20, aggregated across 3 databases.

Band Gap

1.01 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Br28Hg24Sb20, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pa-3 (No. 205)cubic1.010.0000-2.4966.88
6.63
Pa-3 (No. 205)
Pa-3 (No. 205)
6.63
Uses

Applications

Where Br28Hg24Sb20 is used.

Materials science researchSolid-state chemistry studiesCrystallographic analysis
Reference

Frequently Asked Questions

Common questions about Br28Hg24Sb20, answered from cross-validated data.

What is Br28Hg24Sb20?

This complex inorganic compound is a crystalline material composed of mercury, antimony, and bromine. It is primarily studied in the field of solid-state chemistry for its unique structural properties and potential electronic characteristics.

More questions
What is Br28Hg24Sb20 used for?
Br28Hg24Sb20 is used in materials science research, solid-state chemistry studies, and crystallographic analysis.
What is the band gap of Br28Hg24Sb20?
Br28Hg24Sb20 has a DFT-computed band gap of 1.01 eV across 5 reported structures.
Is Br28Hg24Sb20 a metal, semiconductor, or insulator?
With a band gap up to 1.01 eV it is a semiconductor.
Is Br28Hg24Sb20 thermodynamically stable?
Yes — Br28Hg24Sb20 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Br28Hg24Sb20?
The lowest-energy reported polymorph of Br28Hg24Sb20 is cubic symmetry, space group Pa-3 (No. 205).
What is the density of Br28Hg24Sb20?
The computed density of the ground-state structure of Br28Hg24Sb20 is 6.88 g/cm³.
How many polymorphs of Br28Hg24Sb20 are known?
5 structures of Br28Hg24Sb20 are reported across 3 databases, spanning 1 distinct space group.
What elements does Br28Hg24Sb20 contain?
Br28Hg24Sb20 contains Br, Hg, and Sb (3 elements).
Where does the data for Br28Hg24Sb20 come from?
Br28Hg24Sb20 data is cross-referenced from materials_project, omat24, aflow.
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).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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