Data-driven studies of magnetic two-dimensional materials

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{
  "revision": 3, 
  "id": "130", 
  "created": "2020-05-12T13:52:47.452339+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:2019.0020/v1", 
    "status": "published", 
    "title": "Data-driven studies of magnetic two-dimensional materials", 
    "mcid": "2019.0020/v1", 
    "license_addendum": "", 
    "_files": [
      {
        "description": "csv file of materials descriptors and the target properties: magnetic moment and formation energy.", 
        "key": "magneticmoment_Ef_data.csv", 
        "size": 229197, 
        "checksum": "md5:d3caada8e9652220c4416e03281e02de"
      }, 
      {
        "description": "Description of materials descriptors", 
        "key": "README.rtf", 
        "size": 6560, 
        "checksum": "md5:5ba0a7f5336fd58399a48170ae6f7fc4"
      }
    ], 
    "owner": 21, 
    "_oai": {
      "id": "oai:materialscloud.org:130"
    }, 
    "keywords": [
      "machine learning", 
      "two-dimensional materials", 
      "magnetic materials"
    ], 
    "conceptrecid": "129", 
    "is_last": true, 
    "references": [
      {
        "type": "Journal reference", 
        "doi": "10.1038/s41598-020-72811-z", 
        "url": "https://doi.org/10.1038/s41598-020-72811-z", 
        "comment": "Paper where the data is discussed", 
        "citation": "T.D. Rhone, W. Chen, S. Desai, A. Yacoby, E. Kaxiras, Data-driven studies of magnetic two-dimensional materials. Sci Rep 10, 15795 (2020)."
      }
    ], 
    "publication_date": "May 20, 2019, 00:00:00", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "130", 
    "description": "We use a data-driven approach to study the magnetic and thermodynamic properties of van der Waals (vdW) layered materials. We investigate monolayers of the form A2B2X6, based on the known material Cr2Ge2Te6, using density functional theory (DFT) calculations and determine their magnetic properties, such as magnetic order and magnetic moment. We also examine formation energies and use them as a proxy for chemical stability. ", 
    "version": 1, 
    "contributors": [
      {
        "email": "trr715@g.harvard.edu", 
        "affiliations": [
          "Department of Physics, Harvard University, 17 Oxford street, Cambridge MA 02138"
        ], 
        "familyname": "Rhone", 
        "givennames": "Trevor David"
      }, 
      {
        "affiliations": [
          "Department of Physics, Harvard University, 17 Oxford street, Cambridge MA 02138"
        ], 
        "familyname": "Chen", 
        "givennames": "Wei"
      }, 
      {
        "affiliations": [
          "Department of Physics, Harvard University, 17 Oxford street, Cambridge MA 02138"
        ], 
        "familyname": "Desai", 
        "givennames": "Shaan"
      }, 
      {
        "affiliations": [
          "Department of Physics, Harvard University, 17 Oxford street, Cambridge MA 02138"
        ], 
        "familyname": "Yacoby", 
        "givennames": "Amir"
      }, 
      {
        "email": "kaxiras@g.harvard.edu", 
        "affiliations": [
          "Department of Physics, Harvard University, 17 Oxford street, Cambridge MA 02138"
        ], 
        "familyname": "Kaxiras", 
        "givennames": "Efthimios"
      }
    ], 
    "edited_by": 21
  }, 
  "updated": "2021-12-06T14:37:08.720968+00:00"
}