Ceramics & Hard Materials

MAX Phases

Nanolaminated Mn+1AXn carbides and nitrides (Ti3SiC2, Ti2AlC) that machine like metals yet resist oxidation like ceramics — and serve as parent crystals for MXene synthesis.

At a glance

Class Statistics

Compounds Tracked
735
Multi-Source DFT
0
With Synthesis Routes
49
Avg. Agreement
1.00 / 1.00
Overview

What are MAX Phases?

MAX phases represent a unique class of ternary carbides and nitrides defined by the general formula Mn+1AXn, where M is an early transition metal, A is an A-group element (typically from groups 13 or 14), and X is either carbon or nitrogen. These materials possess a distinct nanolaminated crystal structure, characterized by alternating layers of M-X octahedra and pure A-element sheets. This specific atomic arrangement grants MAX phases a fascinating hybrid of properties that bridge the gap between metals and ceramics. Like metals, they exhibit excellent electrical and thermal conductivity, are relatively soft, and can be machined using conventional tools. Conversely, they share ceramic-like characteristics such as high-temperature oxidation resistance, thermal stability, and significant hardness. Their ability to undergo plastic deformation through kink-band formation and delamination at the microscopic level makes them remarkably damage-tolerant compared to traditional brittle ceramics. Beyond their structural utility, MAX phases have gained immense scientific prominence as the essential parent materials for the synthesis of MXenes. By selectively etching the A-layer atoms from the MAX phase crystal lattice, researchers can produce two-dimensional transition metal carbides and nitrides, which have revolutionized fields ranging from energy storage to electromagnetic interference shielding. Notable members of this family include Ti3SiC2, which was the first to be synthesized in bulk form, and Ti2AlC, widely studied for its exceptional resistance to high-temperature oxidation and corrosion. As research progresses, the versatility of MAX phases continues to expand, positioning them as critical building blocks for next-generation structural and functional materials.

Members

Top MAX Phases

Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.

FormulaBand GapBest EAH (eV/atom)StabilityDFT SourcesRecipes
Ti3AlC2Metallic / not reported0.0000Stable133
Ti3SiC2Metallic / not reported0.0000Stable127
C2SiTi3Metallic / not reported0.0000On hull (stable)—27
AlC2Ti3Metallic / not reported0.0000On hull (stable)—33
C4Si2Ti6Metallic / not reported—Not assessed—27
Al32C64Ti96Metallic / not reported—Not assessed—33
Al2C4Ti6Metallic / not reported—Not assessed—33
Ti2AlCMetallic / not reported0.0000Stable114
AlCTi2Metallic / not reported0.0000On hull (stable)—14
AlCr2CMetallic / not reported0.0000Stable112
Al2C2Ti4Metallic / not reported—Not assessed—14
AlCCr2Metallic / not reported0.0000On hull (stable)—12
Al2C2Cr4Metallic / not reported—Not assessed—12
Al60C60Cr120Metallic / not reported—Not assessed—12
Ti2AlNMetallic / not reported0.0000Stable14
AlNTi2Metallic / not reported0.0000On hull (stable)—4
Ti3InN0.03 eV0.0000Stable10
ZrGeN21.18 eV0.2252Unstable10
ZrSnN20.65 eV0.1843Unstable10
Ta4AlC3Metallic / not reported0.0000Stable12
Nb2AlCMetallic / not reported0.0000Stable12
TiSn4N40.79 eV0.2643Unstable10
Cr2GeCMetallic / not reported0.0129Stable12
GeN2Zr1.42 eV0.2699Above hull—0
Ti3GeC2Metallic / not reported0.0000Stable12
Cr2GaNMetallic / not reported0.0288Metastable11
Cr3GaNMetallic / not reported0.0209Metastable11
Al2NNb30.49 eV0.0000On hull (stable)—0
AlMoN31.45 eV0.2041Above hull—0
Cr3N11Si60.08 eV0.3700Above hull—0
Cr5N6Si20.02 eV0.3543Above hull—0
CrN10Si70.68 eV0.1849Above hull—0
Ga2N2Zr0.70 eV0.3476Above hull—0
GaMoN31.09 eV0.3065Above hull—0
GaN2Ta1.12 eV0.3539Above hull—0
Ge3N9Zr50.04 eV0.3381Above hull—0
Ge4N4Ti0.55 eV0.3542Above hull—0
In4N4Ti0.35 eV0.3181Above hull—0
N10Si7V0.74 eV0.2236Above hull—0
N11Si6Ti30.02 eV0.3806Above hull—0
N11Si6Zr30.07 eV0.2877Above hull—0
N2SnZr0.65 eV0.1738Above hull—0
N4Sn4Ti0.77 eV0.2186Above hull—0
Al2N2Ti4Metallic / not reported—Not assessed—4
Ta2AlCMetallic / not reported0.0000Unstable11
Ta3AlC2Metallic / not reported0.0000Stable11
AlC3Ta4Metallic / not reported0.0018Near hull (likely stable)—2
CCr2GeMetallic / not reported0.0055Near hull (likely stable)—2
AlCTa2Metallic / not reported0.0059Near hull (likely stable)—1
AlV4C3Metallic / not reported0.0023Stable11
Reference

Frequently Asked Questions

How many max phases are in the database?

735 max phases are tracked, of which 0 have multi-source DFT validation and 49 have documented synthesis routes.

More questions
What is the most data-rich max phase?
Ti3AlC2 is the most thoroughly characterized, with 2 reported structures.
Which max phase has the widest band gap?
Among the top compounds, AlMoN3 has the widest reported DFT band gap (1.45 eV).
What makes MAX phases different from traditional ceramics?
Unlike traditional ceramics, which are typically brittle and difficult to machine, MAX phases exhibit metallic characteristics such as high electrical conductivity and the ability to be machined with standard metalworking tools due to their unique nanolaminated structure.
How are MXenes related to MAX phases?
MAX phases serve as the precursor materials for MXenes. By chemically etching away the A-group element layers from the MAX phase crystal structure, scientists can isolate the remaining M-X layers to create two-dimensional sheets known as MXenes.
Why are MAX phases considered damage-tolerant?
Their damage tolerance arises from their nanolaminated structure, which allows the material to dissipate energy through microscopic mechanisms like kink-band formation and inter-layer sliding, preventing the catastrophic crack propagation common in monolithic ceramics.
Are MAX phases suitable for high-temperature applications?
Yes, MAX phases are highly valued for high-temperature environments because they maintain their structural integrity and demonstrate excellent resistance to oxidation, often forming a protective oxide layer that prevents further degradation.
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