OsC

OsC is a semiconducting transition metal carbide that exists in a metastable state.

COs
Crystal structure of OsC (hexagonal, P-6m2 (No. 187))
Ground-state structure · Materials Project
Overview

About OsC

OsC is a binary compound composed of osmium and carbon. As a semiconducting material, it represents a specialized niche in carbide chemistry, drawing interest from researchers investigating the electronic behavior of transition metal-carbon systems.

Despite its existence in a high volume of reported structures, this compound is characterized by its thermodynamic instability, placing it above the hull. Its study provides valuable insights into the synthesis challenges and structural diversity inherent in transition metal carbides.

At a glance

Key Properties

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

Band Gap

0.19–0.43 eV
Range across DFT structures · ground state: small gap

Energy Above Hull

0.672 eV/atom
Best (lowest) across sources

Stability

Unstable
3 DFT sources

Structures

413
3 databases, 44 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of OsC. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

0.82 / 1.00
Trust tier: high

Hull Spread

0.045 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

All match
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
F-43m (No. 216)cubic0.190.67230.671—
——0.000.71160.712—
F-43m (No. 216)cubic0.140.7170-30.74913.69
P213 (No. 198)cubic0.190.73860.737—
——0.430.77180.772—
P213 (No. 198)cubic0.300.7766-30.69015.08
P-6m2 (No. 187)hexagonal0.000.90150.900—
P63/mmc (No. 194)hexagonal0.000.90800.906—
——0.000.91140.911—
P-6m2 (No. 187)hexagonal0.000.9161-30.55016.34
——0.000.92450.924—
P63/mmc (No. 194)hexagonal0.000.9278-30.53816.42
Reference

Frequently Asked Questions

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

What is OsC?

OsC is a semiconducting transition metal carbide that exists in a metastable state.

More questions
What is the band gap of OsC?
OsC has a DFT-computed band gap of 0.19–0.43 eV across 413 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is OsC a metal, semiconductor, or insulator?
DFT predicts a band gap of up to 0.43 eV (a semiconductor). Measured gaps are typically larger.
Is OsC thermodynamically stable?
OsC has a lowest energy above hull of 0.672 eV/atom (unstable).
What is the crystal structure of OsC?
The reference structure of OsC is hexagonal symmetry, space group P-6m2 (No. 187).
How many polymorphs of OsC are known?
413 structures of OsC are reported across 3 databases, spanning 44 distinct space groups.
What elements does OsC contain?
OsC contains C and Os (2 elements).
Where does the data for OsC come from?
OsC data is cross-referenced from jarvis, oqmd, materials_project, mpaloe.
Comparison

How It Compares

As a unique binary carbide, OsC serves as a distinct entry in the study of transition metal compounds, where its semiconducting nature and metastable state highlight the complex bonding landscapes that define this class of materials.

Data sources & attribution
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.

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