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MatID is a Python package for identifying and analyzing atomistic systems based on their structure.

Documentation

For more details and tutorials, visit the documentation at: https://fairmat-nfdi.github.io/matid/

You can find even more details in the following open-access articles:

Automated identiﬁcation of bulk structures, two-dimensional materials, and interfaces using symmetry-based clustering
Materials structure genealogy and high-throughput topological classification of surfaces and 2D materials

Example: Surface detection and analysis

import ase.io
from ase.visualize import view

from matid.clustering import SBC
from matid.symmetry import SymmetryAnalyzer

# Load structure from a file
system = ase.io.read('data/system.xyz')

# Find interesting substructures using Symmetry-based Clustering (SBC)
sbc = SBC()
clusters = sbc.get_clusters(system)

# Analyze each found cluster printing out the indices of the atoms belonging to
# this cluster and visualizing the conventional cell from which the cluster was
# built from.
for cluster in clusters:

    # Get the indices of the atoms belonging to this cluster
    indices = cluster.indices
    print(indices)

    # Get the dimensionality of the cluster
    dimensionality = cluster.get_dimensionality()
    print(dimensionality)

    # Get the cell from which the cluster is constructed from. The periodicity
    # of this cell indicates in which directions the unit cell has been found to
    # be repeated in (at least once, possibly infinitely).
    cell = cluster.get_cell()
    n_repeated_directions = sum(cell.get_pbc())
    print(n_repeated_directions)

    # Analyze some symmetry properties of the underlying cell to better identify
    # the material from which the cluster has been constructed from.
    analyzer = SymmetryAnalyzer(cell, symmetry_tol=0.5)
    conv_sys = analyzer.get_conventional_system()
    view(conv_sys)

Installation

pip

pip install matid

From source

git clone https://github.com/fairmat-nfdi/matid.git
cd matid
pip install .

Metadata

Release files for matid 2.2.0

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for matid 2.2.0
File	Size	Uploaded
matid-2.2.0.tar.gz	152.5 kB	Jul 6, 2026	Details

Built distributions (wheels)

Table of built distributions (wheels) for matid 2.2.0
File	Interpreter	ABI	Platform	Reset
matid-2.2.0-cp314-cp314t-win_amd64.whl 478.5 kB Jul 6, 2026	CPython 3.14	CPython 3.14 free-threading	Windows x86-64	Details
matid-2.2.0-cp314-cp314t-win32.whl 462.4 kB Jul 6, 2026	CPython 3.14	CPython 3.14 free-threading	Windows x86-32	Details
matid-2.2.0-cp314-cp314t-musllinux_1_2_x86_64.whl 4.1 MB Jul 6, 2026	CPython 3.14	CPython 3.14 free-threading	Linux musl 1.2+ x86-64	Details
matid-2.2.0-cp314-cp314t-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl 3.1 MB Jul 6, 2026	CPython 3.14	CPython 3.14 free-threading	Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64	Details
matid-2.2.0-cp314-cp314t-macosx_11_0_arm64.whl 297.1 kB Jul 6, 2026	CPython 3.14	CPython 3.14 free-threading	macOS 11.0+ ARM64	Details
matid-2.2.0-cp314-cp314t-macosx_10_15_x86_64.whl 303.1 kB Jul 6, 2026	CPython 3.14	CPython 3.14 free-threading	macOS 10.15+ x86-64	Details
matid-2.2.0-cp314-cp314-win_amd64.whl 473.5 kB Jul 6, 2026	CPython 3.14	CPython 3.14	Windows x86-64	Details
matid-2.2.0-cp314-cp314-win32.whl 457.7 kB Jul 6, 2026	CPython 3.14	CPython 3.14	Windows x86-32	Details
matid-2.2.0-cp314-cp314-musllinux_1_2_x86_64.whl 4.0 MB Jul 6, 2026	CPython 3.14	CPython 3.14	Linux musl 1.2+ x86-64	Details
matid-2.2.0-cp314-cp314-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl 3.0 MB Jul 6, 2026	CPython 3.14	CPython 3.14	Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64	Details
matid-2.2.0-cp314-cp314-macosx_11_0_arm64.whl 291.2 kB Jul 6, 2026	CPython 3.14	CPython 3.14	macOS 11.0+ ARM64	Details
matid-2.2.0-cp314-cp314-macosx_10_15_x86_64.whl 296.4 kB Jul 6, 2026	CPython 3.14	CPython 3.14	macOS 10.15+ x86-64	Details
matid-2.2.0-cp313-cp313-win_amd64.whl 470.4 kB Jul 6, 2026	CPython 3.13	CPython 3.13	Windows x86-64	Details
matid-2.2.0-cp313-cp313-win32.whl 455.6 kB Jul 6, 2026	CPython 3.13	CPython 3.13	Windows x86-32	Details
matid-2.2.0-cp313-cp313-musllinux_1_2_x86_64.whl 4.1 MB Jul 6, 2026	CPython 3.13	CPython 3.13	Linux musl 1.2+ x86-64	Details
matid-2.2.0-cp313-cp313-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl 3.0 MB Jul 6, 2026	CPython 3.13	CPython 3.13	Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64	Details
matid-2.2.0-cp313-cp313-macosx_11_0_arm64.whl 290.9 kB Jul 6, 2026	CPython 3.13	CPython 3.13	macOS 11.0+ ARM64	Details
matid-2.2.0-cp313-cp313-macosx_10_13_x86_64.whl 296.1 kB Jul 6, 2026	CPython 3.13	CPython 3.13	macOS 10.13+ x86-64	Details
matid-2.2.0-cp312-cp312-win_amd64.whl 470.3 kB Jul 6, 2026	CPython 3.12	CPython 3.12	Windows x86-64	Details
matid-2.2.0-cp312-cp312-win32.whl 455.6 kB Jul 6, 2026	CPython 3.12	CPython 3.12	Windows x86-32	Details
matid-2.2.0-cp312-cp312-musllinux_1_2_x86_64.whl 4.1 MB Jul 6, 2026	CPython 3.12	CPython 3.12	Linux musl 1.2+ x86-64	Details
matid-2.2.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl 3.0 MB Jul 6, 2026	CPython 3.12	CPython 3.12	Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64	Details
matid-2.2.0-cp312-cp312-macosx_11_0_arm64.whl 290.9 kB Jul 6, 2026	CPython 3.12	CPython 3.12	macOS 11.0+ ARM64	Details
matid-2.2.0-cp312-cp312-macosx_10_13_x86_64.whl 296.1 kB Jul 6, 2026	CPython 3.12	CPython 3.12	macOS 10.13+ x86-64	Details
matid-2.2.0-cp311-cp311-win_amd64.whl 469.5 kB Jul 6, 2026	CPython 3.11	CPython 3.11	Windows x86-64	Details
matid-2.2.0-cp311-cp311-win32.whl 455.5 kB Jul 6, 2026	CPython 3.11	CPython 3.11	Windows x86-32	Details
matid-2.2.0-cp311-cp311-musllinux_1_2_x86_64.whl 4.0 MB Jul 6, 2026	CPython 3.11	CPython 3.11	Linux musl 1.2+ x86-64	Details
matid-2.2.0-cp311-cp311-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl 3.0 MB Jul 6, 2026	CPython 3.11	CPython 3.11	Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64	Details
matid-2.2.0-cp311-cp311-macosx_11_0_arm64.whl 291.9 kB Jul 6, 2026	CPython 3.11	CPython 3.11	macOS 11.0+ ARM64	Details
matid-2.2.0-cp311-cp311-macosx_10_9_x86_64.whl 296.7 kB Jul 6, 2026	CPython 3.11	CPython 3.11	macOS 10.9+ x86-64	Details
matid-2.2.0-cp310-cp310-win_amd64.whl 469.0 kB Jul 6, 2026	CPython 3.10	CPython 3.10	Windows x86-64	Details
matid-2.2.0-cp310-cp310-win32.whl 453.7 kB Jul 6, 2026	CPython 3.10	CPython 3.10	Windows x86-32	Details
matid-2.2.0-cp310-cp310-musllinux_1_2_x86_64.whl 4.0 MB Jul 6, 2026	CPython 3.10	CPython 3.10	Linux musl 1.2+ x86-64	Details
matid-2.2.0-cp310-cp310-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl 2.9 MB Jul 6, 2026	CPython 3.10	CPython 3.10	Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64	Details
matid-2.2.0-cp310-cp310-macosx_11_0_arm64.whl 290.9 kB Jul 6, 2026	CPython 3.10	CPython 3.10	macOS 11.0+ ARM64	Details
matid-2.2.0-cp310-cp310-macosx_10_9_x86_64.whl 295.6 kB Jul 6, 2026	CPython 3.10	CPython 3.10	macOS 10.9+ x86-64	Details
matid-2.2.0-cp39-cp39-win_amd64.whl 469.7 kB Jul 6, 2026	CPython 3.9	CPython 3.9	Windows x86-64	Details
matid-2.2.0-cp39-cp39-win32.whl 454.5 kB Jul 6, 2026	CPython 3.9	CPython 3.9	Windows x86-32	Details
matid-2.2.0-cp39-cp39-musllinux_1_2_x86_64.whl 4.0 MB Jul 6, 2026	CPython 3.9	CPython 3.9	Linux musl 1.2+ x86-64	Details
matid-2.2.0-cp39-cp39-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl 2.9 MB Jul 6, 2026	CPython 3.9	CPython 3.9	Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64	Details
matid-2.2.0-cp39-cp39-macosx_11_0_arm64.whl 291.2 kB Jul 6, 2026	CPython 3.9	CPython 3.9	macOS 11.0+ ARM64	Details
matid-2.2.0-cp39-cp39-macosx_10_9_x86_64.whl 295.6 kB Jul 6, 2026	CPython 3.9	CPython 3.9	macOS 10.9+ x86-64	Details

Total release size: 59.9 MB

Release files / matid-2.2.0.tar.gz

Download URL	matid-2.2.0.tar.gz
Size	152.5 kB
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Download URL	matid-2.2.0-cp314-cp314t-win32.whl
Size	462.4 kB
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Release files / matid-2.2.0-cp314-cp314t-musllinux_1_2_x86_64.whl

Download URL	matid-2.2.0-cp314-cp314t-musllinux_1_2_x86_64.whl
Size	4.1 MB
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Release files / matid-2.2.0-cp314-cp314t-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl

Download URL	matid-2.2.0-cp314-cp314t-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl
Size	3.1 MB
Tags	CPython 3.14 CPython 3.14 free-threading Linux glibc 2.24+ x86-64 Linux glibc 2.28+ x86-64
SHA-256 checksum How to use checksums	`13e93a567320073e7ba950b1004ddc8ff094af22f42806a6aa4aabff7dcdafc0`
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Release files / matid-2.2.0-cp314-cp314t-macosx_11_0_arm64.whl

Download URL	matid-2.2.0-cp314-cp314t-macosx_11_0_arm64.whl
Size	297.1 kB
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Release files / matid-2.2.0-cp314-cp314t-macosx_10_15_x86_64.whl

Download URL	matid-2.2.0-cp314-cp314t-macosx_10_15_x86_64.whl
Size	303.1 kB
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Release files / matid-2.2.0-cp314-cp314-win_amd64.whl

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Size	473.5 kB
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Release files / matid-2.2.0-cp314-cp314-win32.whl

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Size	457.7 kB
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Release files / matid-2.2.0-cp314-cp314-musllinux_1_2_x86_64.whl

Download URL	matid-2.2.0-cp314-cp314-musllinux_1_2_x86_64.whl
Size	4.0 MB
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Release files / matid-2.2.0-cp314-cp314-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl

Download URL	matid-2.2.0-cp314-cp314-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl
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Release files / matid-2.2.0-cp313-cp313-win32.whl

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Size	455.6 kB
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Release files / matid-2.2.0-cp313-cp313-musllinux_1_2_x86_64.whl

Download URL	matid-2.2.0-cp313-cp313-musllinux_1_2_x86_64.whl
Size	4.1 MB
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Release files / matid-2.2.0-cp313-cp313-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl

Download URL	matid-2.2.0-cp313-cp313-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl
Size	3.0 MB
Tags	CPython 3.13 Linux glibc 2.24+ x86-64 Linux glibc 2.28+ x86-64
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Release files / matid-2.2.0-cp313-cp313-macosx_11_0_arm64.whl

Download URL	matid-2.2.0-cp313-cp313-macosx_11_0_arm64.whl
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Release files / matid-2.2.0-cp313-cp313-macosx_10_13_x86_64.whl

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Release files / matid-2.2.0-cp312-cp312-win_amd64.whl

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Release files / matid-2.2.0-cp312-cp312-win32.whl

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Release files / matid-2.2.0-cp312-cp312-musllinux_1_2_x86_64.whl

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Release files / matid-2.2.0-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl

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Release files / matid-2.2.0-cp312-cp312-macosx_11_0_arm64.whl

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Release files / matid-2.2.0-cp312-cp312-macosx_10_13_x86_64.whl

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Release files / matid-2.2.0-cp311-cp311-win_amd64.whl

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Release files / matid-2.2.0-cp311-cp311-win32.whl

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Release files / matid-2.2.0-cp311-cp311-musllinux_1_2_x86_64.whl

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Release files / matid-2.2.0-cp311-cp311-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl

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Release files / matid-2.2.0-cp311-cp311-macosx_11_0_arm64.whl

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Release files / matid-2.2.0-cp311-cp311-macosx_10_9_x86_64.whl

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Release files / matid-2.2.0-cp310-cp310-win_amd64.whl

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Release files / matid-2.2.0-cp310-cp310-win32.whl

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Release files / matid-2.2.0-cp310-cp310-musllinux_1_2_x86_64.whl

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Release files / matid-2.2.0-cp310-cp310-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl

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Release files / matid-2.2.0-cp310-cp310-macosx_11_0_arm64.whl

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Release files / matid-2.2.0-cp310-cp310-macosx_10_9_x86_64.whl

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Release files / matid-2.2.0-cp39-cp39-win_amd64.whl

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Release files / matid-2.2.0-cp39-cp39-win32.whl

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Release files / matid-2.2.0-cp39-cp39-musllinux_1_2_x86_64.whl

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Release files / matid-2.2.0-cp39-cp39-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl

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Release files / matid-2.2.0-cp39-cp39-macosx_11_0_arm64.whl

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Release files / matid-2.2.0-cp39-cp39-macosx_10_9_x86_64.whl

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