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oai:materialscloud.org:wygeh-jrc57 2026-05-07T13:14:52Z openaire_data community-mcarchive

Putatunda, Aditya Cuono, Giuseppe Orlando, Federico Picozzi, Silvia Putatunda, Aditya Cuono, Giuseppe Orlando, Federico Picozzi, Silvia 2026-05-07 AMaRaNTA stands for Automating Magnetic paRAmeters iN a Tensorial Approach 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. 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. application/octet-stream application/octet-stream application/zip text/markdown application/octet-stream application/octet-stream application/octet-stream application/octet-stream application/octet-stream application/octet-stream application/octet-stream application/octet-stream https://doi.org/10.24435/materialscloud:he-3k oai:materialscloud.org:wygeh-jrc57 mcid:2026.98 eng Materials Cloud https://doi.org/10.1038/s41524-026-01968-4 https://arxiv.org/abs/2509.20226 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 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 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 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 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 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 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 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 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 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 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:5w-5k info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode 2D magnets magnetic exchanges 4state method DFT AiiDA AMaRaNTA: automated first-principles exchange parameters in 2D magnets [Results] info:eu-repo/semantics/other