C12Co4H36N28O8

C12Co4H36N28O8 is a semiconducting cobalt-based coordination complex that exists in a metastable state.

CCoHNO
Crystal structure of C12Co4H36N28O8 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About C12Co4H36N28O8

C12Co4H36N28O8 is a complex coordination compound featuring a cobalt-based framework. Its electronic character classifies it as a semiconductor, making it a subject of interest for fundamental studies in molecular electronics and coordination chemistry.

Due to its position above the thermodynamic hull, this material is considered metastable. Research into this compound focuses on its unique structural arrangements and the potential for synthesizing stable derivatives within similar chemical environments.

At a glance

Key Properties

Cross-validated computational properties for C12Co4H36N28O8, aggregated across 3 databases.

Band Gap

1.73 eV
Range across DFT structures

Energy Above Hull

0.274 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for C12Co4H36N28O8, 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)monoclinic1.730.2742-6.3651.57
P21/c (No. 14)
No. 0unknown0.44
Uses

Applications

Where C12Co4H36N28O8 is used.

Fundamental materials researchCoordination chemistry studiesMolecular electronics exploration
Reference

Frequently Asked Questions

Common questions about C12Co4H36N28O8, answered from cross-validated data.

What is C12Co4H36N28O8?

C12Co4H36N28O8 is a semiconducting cobalt-based coordination complex that exists in a metastable state.

More questions
What is C12Co4H36N28O8 used for?
C12Co4H36N28O8 is used in fundamental materials research, coordination chemistry studies, and molecular electronics exploration.
What is the band gap of C12Co4H36N28O8?
C12Co4H36N28O8 has a DFT-computed band gap of 1.73 eV across 3 reported structures.
Is C12Co4H36N28O8 a metal, semiconductor, or insulator?
With a band gap up to 1.73 eV it is a semiconductor.
Is C12Co4H36N28O8 thermodynamically stable?
C12Co4H36N28O8 has a lowest energy above hull of 0.274 eV/atom (above hull).
What is the crystal structure of C12Co4H36N28O8?
The lowest-energy reported polymorph of C12Co4H36N28O8 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of C12Co4H36N28O8?
The computed density of the ground-state structure of C12Co4H36N28O8 is 1.57 g/cm³.
How many polymorphs of C12Co4H36N28O8 are known?
3 structures of C12Co4H36N28O8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C12Co4H36N28O8 contain?
C12Co4H36N28O8 contains C, Co, H, N, and O (5 elements).
Where does the data for C12Co4H36N28O8 come from?
C12Co4H36N28O8 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a specialized coordination complex, this compound represents a niche area of study within inorganic chemistry. Unlike more common, highly stable bulk materials, its metastability invites further exploration into the synthetic pathways required to isolate and characterize such complex molecular architectures.

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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