C8N8Se8

C8N8Se8 is a semiconducting carbon-nitrogen-selenium compound that exists in a metastable state.

CNSe
Crystal structure of C8N8Se8 (orthorhombic, P212121 (No. 19))
Ground-state structure · Materials Project
Overview

About C8N8Se8

C8N8Se8 is a complex carbon-nitrogen-selenium compound characterized by semiconducting electronic behavior. Its structural configuration places it in a niche category of materials that are currently being explored for their unique chemical bonding and potential electronic properties.

Due to its position above the thermodynamic hull, this compound is considered metastable, which presents significant challenges and opportunities for synthesis. Its existence in multiple structural forms suggests a complex energy landscape that remains a subject of ongoing investigation in materials science.

At a glance

Key Properties

Cross-validated computational properties for C8N8Se8, aggregated across 3 databases.

Band Gap

2.20 eV
Range across DFT structures

Energy Above Hull

0.296 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 C8N8Se8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P212121 (No. 19)orthorhombic2.200.2958-10.8332.67
P212121 (No. 19)
No. 0unknown0.69
Reference

Frequently Asked Questions

Common questions about C8N8Se8, answered from cross-validated data.

What is C8N8Se8?

C8N8Se8 is a semiconducting carbon-nitrogen-selenium compound that exists in a metastable state.

More questions
What is the band gap of C8N8Se8?
C8N8Se8 has a DFT-computed band gap of 2.20 eV across 3 reported structures.
Is C8N8Se8 a metal, semiconductor, or insulator?
With a band gap up to 2.20 eV it is a semiconductor.
Is C8N8Se8 thermodynamically stable?
C8N8Se8 has a lowest energy above hull of 0.296 eV/atom (above hull).
What is the crystal structure of C8N8Se8?
The lowest-energy reported polymorph of C8N8Se8 is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of C8N8Se8?
The computed density of the ground-state structure of C8N8Se8 is 2.67 g/cm³.
How many polymorphs of C8N8Se8 are known?
3 structures of C8N8Se8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C8N8Se8 contain?
C8N8Se8 contains C, N, and Se (3 elements).
Where does the data for C8N8Se8 come from?
C8N8Se8 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a unique compound without direct structural siblings in this specific class, C8N8Se8 serves as a distinct case study in the synthesis of complex chalcogen-bearing carbon-nitrogen frameworks. Its behavior highlights the broader challenges of stabilizing intricate multi-element systems that deviate from standard thermodynamic ground states.

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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