Mo3Os

Mo3Os is a metallic intermetallic compound formed from molybdenum and osmium that is characterized by high structural diversity and thermodynamic stability.

MoOs
Crystal structure of Mo3Os (cubic, Pm-3n (No. 223))
Ground-state structure · Materials Project
Overview

About Mo3Os

Mo3Os is a metallic intermetallic compound composed of molybdenum and osmium. Its electronic character is defined by its metallic nature, lacking a band gap, which makes it a subject of interest for fundamental studies in condensed matter physics and metallurgy. The compound exhibits significant structural complexity, supported by a wealth of reported configurations across various databases.

As a near-hull material, Mo3Os is considered thermodynamically stable and likely synthesizable under controlled conditions. Its ability to form multiple structural arrangements suggests a versatile role in alloy development, where the interplay between these two transition metals can be leveraged to tune physical properties for specialized engineering applications.

At a glance

Key Properties

Cross-validated computational properties for Mo3Os, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
3 DFT sources

Structures

40
4 databases, 15 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Mo3Os, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pm-3n (No. 223)cubic0.000.0018-32.79912.88
Pm (No. 6)Monoclinic9.97
Pm (No. 6)Monoclinic5.75
Ama2 (No. 40)Orthorhombic8.67
Pm (No. 6)Monoclinic7.07
Pm (No. 6)Monoclinic12.73
Pnma (No. 62)
Aea2 (No. 41)Orthorhombic11.29
Aea2 (No. 41)Orthorhombic13.98
Aea2 (No. 41)Orthorhombic12.21
P1 (No. 1)Triclinic5.55
P1 (No. 1)Triclinic6.34
Uses

Applications

Where Mo3Os is used.

Fundamental condensed matter researchAlloy developmentMaterials science studies
Reference

Frequently Asked Questions

Common questions about Mo3Os, answered from cross-validated data.

What is Mo3Os?

Mo3Os is a metallic intermetallic compound formed from molybdenum and osmium that is characterized by high structural diversity and thermodynamic stability.

More questions
What is Mo3Os used for?
Mo3Os is used in fundamental condensed matter research, alloy development, and materials science studies.
What is the band gap of Mo3Os?
Mo3Os is computed to be metallic (no band gap) in the reported DFT structures.
Is Mo3Os a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Mo3Os thermodynamically stable?
Mo3Os has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of Mo3Os?
The lowest-energy reported polymorph of Mo3Os is cubic symmetry, space group Pm-3n (No. 223).
What is the density of Mo3Os?
The computed density of the ground-state structure of Mo3Os is 12.88 g/cm³.
How many polymorphs of Mo3Os are known?
40 structures of Mo3Os are reported across 4 databases, spanning 15 distinct space groups.
What elements does Mo3Os contain?
Mo3Os contains Mo and Os (2 elements).
Where does the data for Mo3Os come from?
Mo3Os data is cross-referenced from materials_project, mpaloe, nomad.
Comparison

How It Compares

As an unclassified intermetallic, Mo3Os stands as a distinct binary system that highlights the structural flexibility inherent in molybdenum-based transition metal combinations. Without a broad class of direct siblings, it serves as a primary example of how specific stoichiometry between refractory metals can yield stable, metallic phases that occupy a favorable position on the thermodynamic landscape.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).

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