AMaRaNTA: automated first-principles exchange parameters in 2D magnets [Results]

DOI

<p>AMaRaNTA stands for <strong>A</strong>utomating <strong>M</strong>agnetic pa<strong>RA</strong>meters i<strong>N</strong> a <strong>T</strong>ensorial <strong>A</strong>pproach<br><br>The aim of the AMaRaNTA package is to implement and automatize the widely used energy-mapping method, namely the 4-state method using density functional theory by removing the laborious, multi-step manual procedures. Based on the AiiDA framework, it extracts full spin-orbit coupling included exchange and anisotropy parameters for 2D magnets. In its current implementation (full workchain publicly available at https://github.com/AMaRaNTA-code), AMaRaNTA returns the nearest-neighbour exchange tensor, complemented by scalar parameters for second- and third-nearest-neighbour exchange interactions as well as single-ion anisotropy.<br><br>Present repository is to make available the results obtained using this workchain run on a set of 29 materials, a representative subset of the Materials Cloud 2D Structure database.<br><br></p>

Identifier
DOI https://doi.org/10.24435/materialscloud:he-3k
Related Identifier https://doi.org/10.1038/s41524-026-01968-4
Related Identifier https://arxiv.org/abs/2509.20226
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/wygeh-jrc57/files/group2.aiida/content
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/wygeh-jrc57/files/group6.aiida/content
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/wygeh-jrc57/files/group5.aiida/content
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/wygeh-jrc57/files/group7.aiida/content
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/wygeh-jrc57/files/group9.aiida/content
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/wygeh-jrc57/files/group10.aiida/content
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/wygeh-jrc57/files/group1.aiida/content
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/wygeh-jrc57/files/group3.aiida/content
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/wygeh-jrc57/files/group4.aiida/content
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/wygeh-jrc57/files/group8.aiida/content
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:5w-5k
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:wygeh-jrc57
Provenance
Creator Putatunda, Aditya; Cuono, Giuseppe; Orlando, Federico; Picozzi, Silvia
Publisher Materials Cloud
Contributor Putatunda, Aditya; Cuono, Giuseppe; Orlando, Federico; Picozzi, Silvia
Publication Year 2026
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format application/octet-stream; application/zip; text/markdown
Discipline Materials Science and Engineering