C2Hg2

Mercury(I) carbide · Dimercury dicarbide

Mercury(I) carbide is an inorganic compound composed of mercury and carbon. It is primarily studied for its chemical properties and structural characteristics within the field of organometallic and carbide chemistry.

CHg
Crystal structure of C2Hg2 (hexagonal, P63mc (No. 186))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Mercury(I) carbide, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

2.289 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

40
4 databases, 16 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for C2Hg2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63mc (No. 186)hexagonal0.002.2888-27.3699.93
C2/m (No. 12)
R-3m (No. 166)
I4/mmm (No. 139)
P4/nmm (No. 129)
I4/mmm (No. 139)
C2/m (No. 12)
Cmme (No. 67)
P63/mmc (No. 194)
Pmma (No. 51)
P-3m1 (No. 164)
Cmcm (No. 63)
Uses

Applications

Where Mercury(I) carbide is used.

Chemical researchLaboratory synthesis
Reference

Frequently Asked Questions

Common questions about Mercury(I) carbide, answered from cross-validated data.

What is C2Hg2?

Mercury(I) carbide is an inorganic compound composed of mercury and carbon. It is primarily studied for its chemical properties and structural characteristics within the field of organometallic and carbide chemistry.

More questions
What is C2Hg2 used for?
Mercury(I) carbide (C2Hg2) is used in chemical research and laboratory synthesis.
What is the band gap of C2Hg2?
Mercury(I) carbide (C2Hg2) is computed to be metallic (no band gap) in the reported DFT structures.
Is C2Hg2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is C2Hg2 thermodynamically stable?
Mercury(I) carbide (C2Hg2) has a lowest energy above hull of 2.289 eV/atom (above hull).
What is the crystal structure of C2Hg2?
The lowest-energy reported polymorph of Mercury(I) carbide (C2Hg2) is hexagonal symmetry, space group P63mc (No. 186).
What is the density of C2Hg2?
The computed density of the ground-state structure of Mercury(I) carbide (C2Hg2) is 9.93 g/cm³.
How many polymorphs of C2Hg2 are known?
40 structures of C2Hg2 are reported across 4 databases, spanning 16 distinct space groups.
What elements does C2Hg2 contain?
Mercury(I) carbide (C2Hg2) contains C and Hg (2 elements).
Where does the data for C2Hg2 come from?
C2Hg2 data is cross-referenced from materials_project, aflow, nomad.
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).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).

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