Mo1Ti1W2

Mo1Ti1W2 is a semimetallic alloy of molybdenum, titanium, and tungsten that exists in a metastable state.

MoTiW
Crystal structure of Mo1Ti1W2
Ground-state structure · Materials Project
Overview

About Mo1Ti1W2

Mo1Ti1W2 is a complex metallic alloy consisting of molybdenum, titanium, and tungsten. Characterized as a near-zero-gap semimetallic material, it exhibits electronic properties that bridge the behavior of metals and semiconductors, making it a subject of interest for fundamental materials science studies.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Despite this, it has been identified in numerous structural configurations, reflecting the rich compositional landscape of refractory metal alloys.

At a glance

Key Properties

Cross-validated computational properties for Mo1Ti1W2, aggregated across 2 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

4.815 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 17 space groups
Uses

Applications

Where Mo1Ti1W2 is used.

Fundamental materials science researchAlloy development studies
Reference

Frequently Asked Questions

Common questions about Mo1Ti1W2, answered from cross-validated data.

What is Mo1Ti1W2?

Mo1Ti1W2 is a semimetallic alloy of molybdenum, titanium, and tungsten that exists in a metastable state.

More questions
What is Mo1Ti1W2 used for?
Mo1Ti1W2 is used in fundamental materials science research and alloy development studies.
What is the band gap of Mo1Ti1W2?
Mo1Ti1W2 has a DFT-computed band gap of 0.05 eV across 27 reported structures.
Is Mo1Ti1W2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Mo1Ti1W2 thermodynamically stable?
Mo1Ti1W2 has a lowest energy above hull of 4.815 eV/atom (above hull).
How many polymorphs of Mo1Ti1W2 are known?
27 structures of Mo1Ti1W2 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Mo1Ti1W2 contain?
Mo1Ti1W2 contains Mo, Ti, and W (3 elements).
Where does the data for Mo1Ti1W2 come from?
Mo1Ti1W2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary combination of refractory elements, Mo1Ti1W2 represents a specific point in the vast phase space of molybdenum-titanium-tungsten alloys. Without direct structural siblings in this specific stoichiometry, it serves as a case study for understanding how mixing transition metals influences structural diversity and electronic behavior in complex metallic systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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