Co1Mn2Mo1

Co1Mn2Mo1 is a semimetallic ternary intermetallic compound composed of cobalt, manganese, and molybdenum that exhibits metastable thermodynamic characteristics.

CoMnMo
Crystal structure of Co1Mn2Mo1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Co1Mn2Mo1

Co1Mn2Mo1 is a complex ternary intermetallic compound composed of cobalt, manganese, and molybdenum. Characterized by a near-zero-gap electronic structure, it behaves as a semimetal, placing it in a unique position between traditional metallic conductors and semiconducting materials.

Despite its structural diversity, with numerous reported configurations across databases, this compound is situated above the thermodynamic hull. This suggests that the phase is likely metastable, requiring specific synthesis conditions to stabilize its atomic arrangement.

At a glance

Key Properties

Cross-validated computational properties for Co1Mn2Mo1, aggregated across 2 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

3.543 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 17 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Co1Mn2Mo1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.023.5434-5.5440.63
Cmmm (No. 65)
P4mm (No. 99)
P4/mmm (No. 123)
C2/m (No. 12)
Fm-3m (No. 225)
P4mm (No. 99)
R-3m (No. 166)
R3m (No. 160)
F-43m (No. 216)
Cmmm (No. 65)
P2/m (No. 10)
Reference

Frequently Asked Questions

Common questions about Co1Mn2Mo1, answered from cross-validated data.

What is Co1Mn2Mo1?

Co1Mn2Mo1 is a semimetallic ternary intermetallic compound composed of cobalt, manganese, and molybdenum that exhibits metastable thermodynamic characteristics.

More questions
What is the band gap of Co1Mn2Mo1?
Co1Mn2Mo1 has a DFT-computed band gap of 0.02 eV across 27 reported structures.
Is Co1Mn2Mo1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Co1Mn2Mo1 thermodynamically stable?
Co1Mn2Mo1 has a lowest energy above hull of 3.543 eV/atom (above hull).
What is the crystal structure of Co1Mn2Mo1?
The lowest-energy reported polymorph of Co1Mn2Mo1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Co1Mn2Mo1?
The computed density of the ground-state structure of Co1Mn2Mo1 is 0.63 g/cm³.
How many polymorphs of Co1Mn2Mo1 are known?
27 structures of Co1Mn2Mo1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Co1Mn2Mo1 contain?
Co1Mn2Mo1 contains Co, Mn, and Mo (3 elements).
Where does the data for Co1Mn2Mo1 come from?
Co1Mn2Mo1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phase, Co1Mn2Mo1 serves as an intriguing case study in transition metal chemistry. Without direct structural siblings in this specific class, it stands as a specialized candidate for researchers investigating the interplay between magnetic transition elements and refractory metals in semimetallic systems.

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).

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