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
878
Multi-Source DFT
47
With Synthesis Routes
5
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
Nb3Al2N0.49 eV0.0000On hull (stable)20
Al8N4Nb120.49 eV0.0000On hull (stable)20
ZrGeN21.42 eV0.2699Above hull20
ZrSnN20.65 eV0.1738Above hull20
TiGeN0.55 eV0.3542Above hull10
ZrGaN0.70 eV0.3476Above hull10
Ga2N2Zr20.70 eV0.3476Above hull10
Ga2Mo2N61.09 eV0.3065Above hull10
Ga2N4Ta21.12 eV0.3539Above hull10
GaN2Ta1.12 eV0.3539Above hull10
GeN2Zr1.42 eV0.2699Above hull10
Ta4AlC3Metallic / not reported0.0018Near hull (likely stable)21
CrGaN2Metallic / not reported0.2563Above hull30
Ti3SiC2Metallic / not reported0.0000On hull (stable)12
Ta2AlCMetallic / not reported0.0059Near hull (likely stable)20
CSiTi2Metallic / not reported0.0312Metastable10
Nb2SnCMetallic / not reported0.0000On hull (stable)20
Nb4AlN3Metallic / not reported0.1596Above hull20
CrInN2Metallic / not reported0.3088Above hull20
Zr2Al3C4Metallic / not reported0.0000On hull (stable)20
C2Ga2Mo4Metallic / not reported0.0074Near hull (likely stable)20
C2Ga2Ti4Metallic / not reported0.0000On hull (stable)20
Cr2GaNMetallic / not reported0.0288Metastable20
Ta2InCMetallic / not reported0.0715Metastable20
Ti2SnCMetallic / not reported0.0000On hull (stable)20
Zr2AlCMetallic / not reported0.0382Metastable20
Zr3Al3C5Metallic / not reported0.0000On hull (stable)20
Al2N6V8Metallic / not reported0.1843Above hull20
Cr3GaNMetallic / not reported0.0221Near hull (likely stable)20
GaMo2CMetallic / not reported0.0074Near hull (likely stable)20
Nb2AlCMetallic / not reported0.0000On hull (stable)20
Ta3AlC2Metallic / not reported0.0000On hull (stable)20
Ta5Al3CMetallic / not reported0.0364Metastable20
Ti2GaCMetallic / not reported0.0000On hull (stable)20
TiAlN2Metallic / not reported0.2069Above hull20
Zr3AlNMetallic / not reported0.0000On hull (stable)20
Zr3AlN4Metallic / not reported0.1903Above hull20
Zr5Al3NMetallic / not reported0.0415Metastable20
ZrAlN2Metallic / not reported0.4748Above hull20
C2Cr4Ga2Metallic / not reported0.0000On hull (stable)20
C2Cr4Si2Metallic / not reported0.1245Above hull20
C2Cr6Ge2Metallic / not reported0.0348Metastable20
Ti2AlNMetallic / not reported0.0000On hull (stable)11
Cr4Ga2N2Metallic / not reported0.0288Metastable20
Cr6Ge2N2Metallic / not reported0.0196Near hull (likely stable)20
Ti2AlCMetallic / not reported0.0000On hull (stable)11
Ti3AlC2Metallic / not reported0.0000On hull (stable)11
Al32C32Zr64Metallic / not reported0.0382Metastable10
Al2C2Ta4Metallic / not reported0.0059Near hull (likely stable)10
C2Al2Ta4Metallic / not reported0.0059Near hull (likely stable)10
Reference

Frequently Asked Questions

How many max phases are in the database?

878 max phases are tracked, of which 47 have multi-source DFT validation and 5 have documented synthesis routes.

More questions
What is the most data-rich max phase?
Nb3Al2N is the most thoroughly characterized, with 6 reported structures.
Which max phase has the widest band gap?
Among the top compounds, ZrGeN2 has the widest reported DFT band gap (1.42 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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