DOI: 10.1021/acs.chemmater.6b02724. High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds

High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds

10.1021/acs.chemmater.6b02724

Crossref journal-article

American Chemical Society (ACS)

Chemistry of Materials (316)

Bibliography

Oliynyk, A. O., Antono, E., Sparks, T. D., Ghadbeigi, L., Gaultois, M. W., Meredig, B., & Mar, A. (2016). High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds. Chemistry of Materials, 28(20), 7324â7331.

Authors 7

Anton O. Oliynyk (first)
Erin Antono (additional)
Taylor D. Sparks (additional)
Leila Ghadbeigi (additional)
Michael W. Gaultois (additional)
Bryce Meredig (additional)
Arthur Mar (additional)

References 40 Referenced 315

{'key': 'ref1/cit1', 'first-page': '220', 'volume': '5', 'author': 'Heusler F.', 'year': '1903', 'journal-title': 'Verh. Deut. Phys. Ges.'} / Verh. Deut. Phys. Ges. by Heusler F. (1903)
10.1098/rspa.1934.0053
10.1016/j.progsolidstchem.2011.02.001
10.1103/PhysRevB.28.1745
10.1088/0953-8984/18/27/001
10.1103/PhysRevLett.110.100401
10.1016/j.ssc.2007.12.020
10.1016/S0921-4534(00)00100-3
10.1002/adfm.200701369
10.1103/PhysRevB.59.15660
10.1103/PhysRevB.66.134428
10.1088/0022-3727/40/6/S01
10.1016/j.intermet.2015.05.004
10.1038/nmat2770
Villars, P.; Cenzual, K.Pearson’s Crystal Data—Crystal Structure Database for Inorganic Compounds, on DVD, release 2015/16; ASM International:Materials Park, Ohio, USA, 2015.
10.1524/zkri.1927.65.1.261
Palmer, A.“Golf is deceptively simple and endlessly complicated; it satisfies the soul and frustrates the intellect. It is at the same time rewarding and maddening—and it is without a doubt the greatest game mankind has ever invented.”, (http://www.golfmagic.com/news/golf-news/ten-of-the-best-golfquotes/16705).
10.1016/j.solidstatesciences.2004.07.011
Grand Challenge #3: How do remarkable properties of matter emerge from complex correlations of the atomic or electronic constituents and how can we control these properites?Energy Frontier Research Centers (EFRCs);US. Department of Energy, 2016; (http://science.energy.gov/bes/efrc/research/grand-challenges/).
{'volume-title': 'ASM Alloy Phase Diagrams Database', 'year': '2016', 'author': 'Villars P.', 'key': 'ref20/cit20'} / ASM Alloy Phase Diagrams Database by Villars P. (2016)
10.1021/acs.jpclett.5b00831
10.1038/nmat3568
10.1103/PhysRevLett.114.105503
10.1023/A:1010933404324
10.1103/PhysRevX.4.011019
10.1103/PhysRevB.89.094104
10.1063/1.4952607
Sheldrick, G. M.SHELXTL, version 6.12;Bruker AXS Inc.:Madison, WI, 2001.
{'key': 'ref29/cit29', 'first-page': '209', 'volume': '58', 'author': 'Phillips J. C.', 'year': '1985', 'journal-title': 'Helv. Phys. Acta'} / Helv. Phys. Acta by Phillips J. C. (1985)
10.1016/0038-1098(84)90765-8
10.1016/0022-5088(83)90489-7
10.1021/ar1001318
10.1021/cm100795d
10.1016/S1369-7021(05)71123-8
10.1088/1468-6996/16/1/013501
10.1006/jssc.2001.9210
10.1515/znb-2007-0907
{'key': 'ref38/cit38', 'first-page': '133', 'volume': '1', 'author': 'Svechnikov V. N.', 'year': '1971', 'journal-title': 'Russ. Metall.'} / Russ. Metall. by Svechnikov V. N. (1971)
{'key': 'ref39/cit39', 'first-page': '148', 'volume': '3', 'author': 'Markiv V. Ya.', 'year': '1994', 'journal-title': 'Russ. Metall.'} / Russ. Metall. by Markiv V. Ya. (1994)
{'key': 'ref40/cit40', 'first-page': '823', 'volume': '6', 'author': 'Raghavan V.', 'year': '1992', 'journal-title': 'Indian Inst. Met.'} / Indian Inst. Met. by Raghavan V. (1992)

Dates

Type	When
Created	8 years, 11 months ago (Sept. 18, 2016, 11:09 a.m.)
Deposited	2 years, 4 months ago (April 17, 2023, 6:19 a.m.)
Indexed	5 hours, 37 minutes ago (Aug. 22, 2025, 12:55 a.m.)
Issued	8 years, 10 months ago (Oct. 4, 2016)
Published	8 years, 10 months ago (Oct. 4, 2016)
Published Online	8 years, 10 months ago (Oct. 4, 2016)
Published Print	8 years, 9 months ago (Oct. 25, 2016)

Funders 2

Directorate-General for Research and Innovation 10.13039/100004431
Region: Europe
pri (International organizations)
Labels1
1. EC DG Research
Awards1
1. 659764
Natural Sciences and Engineering Research Council of Canada 10.13039/501100000038
Region: Americas
gov (National government)
Labels3
1. Conseil de Recherches en Sciences Naturelles et en Génie du Canada
2. NSERC
3. CRSNG

BibTeX

@article{Oliynyk_2016, title={High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds}, volume={28}, ISSN={1520-5002}, url={http://dx.doi.org/10.1021/acs.chemmater.6b02724}, DOI={10.1021/acs.chemmater.6b02724}, number={20}, journal={Chemistry of Materials}, publisher={American Chemical Society (ACS)}, author={Oliynyk, Anton O. and Antono, Erin and Sparks, Taylor D. and Ghadbeigi, Leila and Gaultois, Michael W. and Meredig, Bryce and Mar, Arthur}, year={2016}, month=oct, pages={7324–7331} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        22
      ]
    ],
    "date-time": "2025-08-22T04:55:37Z",
    "timestamp": 1755838537013,
    "version": "3.37.3"
  },
  "reference-count": 40,
  "publisher": "American Chemical Society (ACS)",
  "issue": "20",
  "funder": [
    {
      "DOI": "10.13039/100004431",
      "name": "Directorate-General for Research and Innovation",
      "doi-asserted-by": "publisher",
      "award": [
        "659764"
      ],
      "id": [
        {
          "id": "10.13039/100004431",
          "id-type": "DOI",
          "asserted-by": "publisher"
        }
      ]
    },
    {
      "DOI": "10.13039/501100000038",
      "name": "Natural Sciences and Engineering Research Council of Canada",
      "doi-asserted-by": "publisher",
      "id": [
        {
          "id": "10.13039/501100000038",
          "id-type": "DOI",
          "asserted-by": "publisher"
        }
      ]
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2016,
        10,
        25
      ]
    ]
  },
  "DOI": "10.1021/acs.chemmater.6b02724",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2016,
        9,
        18
      ]
    ],
    "date-time": "2016-09-18T15:09:17Z",
    "timestamp": 1474211357000
  },
  "page": "7324-7331",
  "source": "Crossref",
  "is-referenced-by-count": 315,
  "title": "High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds",
  "prefix": "10.1021",
  "volume": "28",
  "author": [
    {
      "given": "Anton O.",
      "family": "Oliynyk",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department\rof Chemistry, University of Alberta, Edmonton, AB T6G 2G2 Canada"
        }
      ]
    },
    {
      "given": "Erin",
      "family": "Antono",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Citrine Informatics, Redwood City, California 94063 United States"
        }
      ]
    },
    {
      "given": "Taylor D.",
      "family": "Sparks",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department\rof Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112 United States"
        }
      ]
    },
    {
      "given": "Leila",
      "family": "Ghadbeigi",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department\rof Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112 United States"
        }
      ]
    },
    {
      "given": "Michael W.",
      "family": "Gaultois",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department\rof Chemistry, University of Cambridge, Cambridge CB2 1EW United Kingdom"
        }
      ]
    },
    {
      "given": "Bryce",
      "family": "Meredig",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Citrine Informatics, Redwood City, California 94063 United States"
        }
      ]
    },
    {
      "given": "Arthur",
      "family": "Mar",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department\rof Chemistry, University of Alberta, Edmonton, AB T6G 2G2 Canada"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2016,
        10,
        4
      ]
    ]
  },
  "reference": [
    {
      "key": "ref1/cit1",
      "first-page": "220",
      "volume": "5",
      "author": "Heusler F.",
      "year": "1903",
      "journal-title": "Verh. Deut. Phys. Ges."
    },
    {
      "key": "ref2/cit2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1098/rspa.1934.0053"
    },
    {
      "key": "ref3/cit3",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.progsolidstchem.2011.02.001"
    },
    {
      "key": "ref4/cit4",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.28.1745"
    },
    {
      "key": "ref5/cit5",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/18/27/001"
    },
    {
      "key": "ref6/cit6",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.110.100401"
    },
    {
      "key": "ref7/cit7",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.ssc.2007.12.020"
    },
    {
      "key": "ref8/cit8",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0921-4534(00)00100-3"
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/adfm.200701369"
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.59.15660"
    },
    {
      "key": "ref11/cit11",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.66.134428"
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0022-3727/40/6/S01"
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.intermet.2015.05.004"
    },
    {
      "key": "ref14/cit14",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/nmat2770"
    },
    {
      "key": "ref15/cit15",
      "unstructured": "Villars, P.; Cenzual, K.Pearson\u2019s Crystal Data\u2014Crystal Structure Database for Inorganic Compounds, on DVD, release 2015/16; ASM International:Materials Park, Ohio, USA, 2015."
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "publisher",
      "DOI": "10.1524/zkri.1927.65.1.261"
    },
    {
      "key": "ref17/cit17",
      "unstructured": "Palmer, A.\u201cGolf is deceptively simple and endlessly complicated; it satisfies the soul and frustrates the intellect. It is at the same time rewarding and maddening\u2014and it is without a doubt the greatest game mankind has ever invented.\u201d, (http://www.golfmagic.com/news/golf-news/ten-of-the-best-golfquotes/16705)."
    },
    {
      "key": "ref18/cit18",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.solidstatesciences.2004.07.011"
    },
    {
      "key": "ref19/cit19",
      "unstructured": "Grand Challenge #3: How do remarkable properties of matter emerge from complex correlations of the atomic or electronic constituents and how can we control these properites?Energy Frontier Research Centers (EFRCs);US. Department of Energy, 2016; (http://science.energy.gov/bes/efrc/research/grand-challenges/)."
    },
    {
      "volume-title": "ASM Alloy Phase Diagrams Database",
      "year": "2016",
      "author": "Villars P.",
      "key": "ref20/cit20"
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpclett.5b00831"
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/nmat3568"
    },
    {
      "key": "ref23/cit23",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.114.105503"
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "publisher",
      "DOI": "10.1023/A:1010933404324"
    },
    {
      "key": "ref25/cit25",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevX.4.011019"
    },
    {
      "key": "ref26/cit26",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.89.094104"
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.4952607"
    },
    {
      "key": "ref28/cit28",
      "unstructured": "Sheldrick, G. M.SHELXTL, version 6.12;Bruker AXS Inc.:Madison, WI, 2001."
    },
    {
      "key": "ref29/cit29",
      "first-page": "209",
      "volume": "58",
      "author": "Phillips J. C.",
      "year": "1985",
      "journal-title": "Helv. Phys. Acta"
    },
    {
      "key": "ref30/cit30",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0038-1098(84)90765-8"
    },
    {
      "key": "ref31/cit31",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0022-5088(83)90489-7"
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ar1001318"
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/cm100795d"
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S1369-7021(05)71123-8"
    },
    {
      "key": "ref35/cit35",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/1468-6996/16/1/013501"
    },
    {
      "key": "ref36/cit36",
      "doi-asserted-by": "publisher",
      "DOI": "10.1006/jssc.2001.9210"
    },
    {
      "key": "ref37/cit37",
      "doi-asserted-by": "publisher",
      "DOI": "10.1515/znb-2007-0907"
    },
    {
      "key": "ref38/cit38",
      "first-page": "133",
      "volume": "1",
      "author": "Svechnikov V. N.",
      "year": "1971",
      "journal-title": "Russ. Metall."
    },
    {
      "key": "ref39/cit39",
      "first-page": "148",
      "volume": "3",
      "author": "Markiv V. Ya.",
      "year": "1994",
      "journal-title": "Russ. Metall."
    },
    {
      "key": "ref40/cit40",
      "first-page": "823",
      "volume": "6",
      "author": "Raghavan V.",
      "year": "1992",
      "journal-title": "Indian Inst. Met."
    }
  ],
  "container-title": "Chemistry of Materials",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/acs.chemmater.6b02724",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        4,
        17
      ]
    ],
    "date-time": "2023-04-17T10:19:02Z",
    "timestamp": 1681726742000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/acs.chemmater.6b02724"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2016,
        10,
        4
      ]
    ]
  },
  "references-count": 40,
  "journal-issue": {
    "issue": "20",
    "published-print": {
      "date-parts": [
        [
          2016,
          10,
          25
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/acs.chemmater.6b02724"
  ],
  "URL": "http://dx.doi.org/10.1021/acs.chemmater.6b02724",
  "relation": {},
  "ISSN": [
    "0897-4756",
    "1520-5002"
  ],
  "subject": [],
  "container-title-short": "Chem. Mater.",
  "published": {
    "date-parts": [
      [
        2016,
        10,
        4
      ]
    ]
  }
}