DOI: 10.1016/j.commatsci.2014.05.014. A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

10.1016/j.commatsci.2014.05.014

Crossref journal-article

Elsevier BV

Computational Materials Science (78)

Bibliography

Taylor, R. H., Rose, F., Toher, C., Levy, O., Yang, K., Buongiorno Nardelli, M., & Curtarolo, S. (2014). A RESTful API for exchanging materials data in the AFLOWLIB.org consortium. Computational Materials Science, 93, 178â192.

Authors 7

Richard H. Taylor (first)
Frisco Rose (additional)
Cormac Toher (additional)
Ohad Levy (additional)
Kesong Yang (additional)
Marco Buongiorno Nardelli (additional)
Stefano Curtarolo (additional)

References 75 Referenced 157

10.1038/nmat3594 / Nat. Mater. by Editorial (2013)
Office of Science and Technology Policy, White House, Materials Genome Initiative for Global Competitiveness, 2011. <http://www.whitehouse.gov/mgi>.
10.1038/nmat3568 / Nat. Mater. by Curtarolo (2013)
G. Ceder, K. Persson, How Supercomputers Will Yield a Golden Age of Materials Science, Scientific American, December 2013.
10.1038/nmat1752 / Nat. Mater. by Greeley (2006)
10.1038/nmat3332 / Nat. Mater. by Yang (2012)
{'key': '10.1016/j.commatsci.2014.05.014_b0035', 'first-page': '041035', 'volume': '3', 'author': 'Hart', 'year': '2013', 'journal-title': 'Phys. Rev. X'} / Phys. Rev. X by Hart (2013)
10.1103/PhysRevB.84.014103 / Phys. Rev. B by Armiento (2011)
10.1021/co200012w / ACS Combust. Sci. by Setyawan (2011)
{'key': '10.1016/j.commatsci.2014.05.014_b0050', 'first-page': '021012', 'volume': '1', 'author': 'Wang', 'year': '2011', 'journal-title': 'Phys. Rev. X'} / Phys. Rev. X by Wang (2011)
10.1103/PhysRevLett.108.068701 / Phys. Rev. Lett. by Yu (2012)
10.1103/PhysRevB.88.165127 / Phys. Rev. B by Agapito (2013)
10.1016/j.commatsci.2012.02.005 / Comput. Mater. Sci. by Curtarolo (2012)
10.1016/j.commatsci.2012.02.002 / Comput. Mater. Sci. by Curtarolo (2012)
10.1016/j.commatsci.2011.02.023 / Comput. Mater. Sci. by Jain (2011)
10.1063/1.4812323 / APL Mater. by Jain (2013)
10.1016/j.commatsci.2012.10.028 / Comput. Mater. Sci. by Ong (2013)
T. Haupt, M. Horstemeyer, N. Sukhija, G. Henley, Engineering Virtual Organization for Cyber Design (EVOCD), 2013. <https://icme.hpc.msstate.edu/>.
10.1016/j.calphad.2005.01.002 / Calphad by Curtarolo (2005)
10.1016/j.calphad.2005.04.003 / Calphad by Curtarolo (2005)
10.1021/ja9105623 / J. Am. Chem. Soc. by Levy (2010)
10.1016/j.actamat.2010.01.017 / Acta Mater. by Levy (2010)
10.1103/PhysRevB.81.174106 / Phys. Rev. B by Levy (2010)
10.1016/j.scriptamat.2009.10.019 / Scr. Mater. by Chepulskii (2010)
10.1021/ja908879y / J. Am. Chem. Soc. by Levy (2010)
10.1103/PhysRevB.84.084101 / Phys. Rev. B by Taylor (2011)
10.1103/PhysRevB.81.024112 / Phys. Rev. B by Taylor (2010)
10.1021/ja101890k / J. Am. Chem. Soc. by Taylor (2010)
10.1063/1.3522652 / Appl. Phys. Lett. by Chepulskii (2010)
10.1021/ja1091672 / J. Am. Chem. Soc. by Levy (2011)
10.1103/PhysRevB.84.214110 / Phys. Rev. B by Jahnatek (2011)
{'key': '10.1016/j.commatsci.2014.05.014_b0160', 'series-title': 'Learning SQL', 'author': 'Beaulieu', 'year': '2009'} / Learning SQL by Beaulieu (2009)
The Open Group, 2013. <http://opengroup.org/austin/papers/posix_faq.html>.
World Wide Web Consortium, HTML 4.01 Specification, 1999. <http://www.w3.org/TR/REC-html40/>.
10.1103/PhysRevB.54.11169 / Phys. Rev. B by Kresse (1996)
{'key': '10.1016/j.commatsci.2014.05.014_b0180', 'first-page': '395502', 'volume': '21', 'author': 'Giannozzi', 'year': '2009', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Giannozzi (2009)
10.1016/j.commatsci.2013.08.053 / Comput. Mater. Sci. by Garrity (2014)
{'key': '10.1016/j.commatsci.2014.05.014_b0190', 'series-title': 'Binary Alloy Phase Diagrams', 'year': '1990'} / Binary Alloy Phase Diagrams (1990)
M. Mehl, Naval Research Laboratory Crystal Structure database, 2011. <http://cst-www.nrl.navy.mil/lattice/>.
10.1107/S0108767378088492 / Acta Crystallogr. Sect. A by Mighell (1993)
10.1107/S010876730209966X / Acta Cryst. by Karen (2002)
10.1107/S010876730503179X / Acta Cryst. by Brown (2005)
{'key': '10.1016/j.commatsci.2014.05.014_b0215', 'first-page': '011019', 'volume': '4', 'author': 'Carrete', 'year': '2014', 'journal-title': 'Phys. Rev. X'} / Phys. Rev. X by Carrete (2014)
10.1103/PhysRevB.77.224115 / Phys. Rev. B by Hart (2008)
10.1103/PhysRevB.80.014120 / Phys. Rev. B by Hart (2009)
International Digital Object Identifier Foundation, Digital Object Identifier, 2011. <http://www.doi.org>.
10.1109/JRPROC.1961.287814 / Proc. IRE by Peterson (1961)
D. Crockford, Introducing JSON, 2009. <http://www.json.org>.
The PHP Group, 2001. <http://www.php.net>.
{'key': '10.1016/j.commatsci.2014.05.014_b0250', 'series-title': 'International Tables of Crystallography, Volume A: Space-group Symmetry', 'year': '2002'} / International Tables of Crystallography, Volume A: Space-group Symmetry (2002)
10.1524/zkri.2006.221.1.15 / Z. Kristallogr. by Aroyo (2006)
10.1016/j.commatsci.2010.05.010 / Comput. Mater. Sci. by Setyawan (2010)
{'key': '10.1016/j.commatsci.2014.05.014_b0265', 'first-page': '767', 'volume': '9', 'author': 'Anisimov', 'year': '1997', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Anisimov (1997)
10.1002/qua.24521 / Int. J. Quantum Chem. by Himmetoglu (2014)
10.1103/PhysRevB.52.R5467 / Phys. Rev. B by Liechtenstein (1995)
10.1103/PhysRevB.57.1505 / Phys. Rev. B by Dudarev (1998)
{'key': '10.1016/j.commatsci.2014.05.014_b0285', 'series-title': 'Pearson’s Handbook of Crystallographic Data for Intermetallic Phases', 'author': 'Villars', 'year': '1991'} / Pearson’s Handbook of Crystallographic Data for Intermetallic Phases by Villars (1991)
10.1109/TNS.2009.2027019 / IEEE Trans. Nucl. Sci. by Setyawan (2009)
{'key': '10.1016/j.commatsci.2014.05.014_b0295', 'first-page': '148', 'volume': 'D65', 'author': 'Spek', 'year': '2009', 'journal-title': 'Acta Cryst.'} / Acta Cryst. by Spek (2009)
10.1107/S0021889804031528 / J. Appl. Cryst. by Stokes (2005)
{'key': '10.1016/j.commatsci.2014.05.014_b0305', 'series-title': 'IUPAC, Compendium of Chemical Terminology, 2nd ed. (the “Gold Book”)', 'author': 'McNaught', 'year': '1997'} / IUPAC, Compendium of Chemical Terminology, 2nd ed. (the “Gold Book”) by McNaught (1997)
10.1103/PhysRevB.85.012201 / Phys. Rev. B by Levy (2012)
10.1145/235815.235821 / ACM Trans. Math. Soft. by Barber (1996)
{'key': '10.1016/j.commatsci.2014.05.014_b0320', 'series-title': 'Gnuplot in Action', 'author': 'Janert', 'year': '2009'} / Gnuplot in Action by Janert (2009)
10.1088/0022-3719/19/3/002 / J. Phys. C: Solid State Phys. by Pettifor (1986)
10.1007/BF01162033 / Sov. Atom. Energy by Kutaitsev (1967)
10.1107/S0567740873002918 / Acta Crystallogr. B by Cromer (1973)
{'key': '10.1016/j.commatsci.2014.05.014_b0340', 'series-title': 'Pearson’s Crystal Data – Crystal Structure Database for Inorganic Compounds', 'author': 'Villars', 'year': '2013'} / Pearson’s Crystal Data – Crystal Structure Database for Inorganic Compounds by Villars (2013)
10.1016/0022-5088(86)90090-1 / J. Less-Common Met. by Saburi (1986)
10.1107/S0108768106036457 / Acta Crystallogr. B by Tirry (2006)
10.1016/0022-5088(74)90221-5 / J. Less-Common Met. by Palenzona (1974)
10.1016/0925-8388(93)90871-J / J. Alloys Compound. by Bendersky (1993)
10.1016/j.jallcom.2006.04.055 / J. Alloys Compound. by Stalick (2007)
10.1016/S0925-8388(96)02417-6 / J. Alloys Compound. by Bendersky (1997)
10.1007/s11669-013-0268-4 / J. Phase Equilib. Diffus. by Stalick (2014)

Dates

Type	When
Created	11 years ago (July 24, 2014, 9:13 a.m.)
Deposited	3 years, 4 months ago (April 12, 2022, 5:41 a.m.)
Indexed	2 weeks, 1 day ago (Aug. 7, 2025, 5:21 p.m.)
Issued	10 years, 10 months ago (Oct. 1, 2014)
Published	10 years, 10 months ago (Oct. 1, 2014)
Published Print	10 years, 10 months ago (Oct. 1, 2014)

Funders 4

DOD-ONR 10.13039/100000006 Office of Naval Research
Region: Americas
gov (National government)
Labels6
1. U.S. Office of Naval Research
2. Naval Research
3. United States Office of Naval Research
4. U.S. Department of the Navy Office of Naval Research
5. The Office of Naval Research
6. ONR
Awards3
1. N00014-11-1-0136
2. N00014-09-1-0921
3. N00014-13-1-0635
NIST 10.13039/100000161 National Institute of Standards and Technology
Region: Americas
gov (National government)
Labels4
1. U.S. National Institute of Standards and Technology
2. National Institute for Standards and Technology
3. U.S. Department of Commerce's National Institute of Standards and Technology
4. NIST
Awards1
1. #70NANB12H163
Duke University—Center for Materials Genomics 10.13039/100006510 Duke University
Region: Americas
pri (Universities (academic only))
Labels7
1. Duke
2. Universitas Dukiana
3. Brown School
4. Union Institute
5. Normal College
6. Trinity College
7. DU
DOE 10.13039/100000015 U.S. Department of Energy
Region: Americas
gov (National government)
Labels8
1. Energy Department
2. Department of Energy
3. United States Department of Energy
4. ENERGY.GOV
5. US Department of Energy
6. USDOE
7. DOE
8. USADOE
Awards1
1. DE-AC02-05CH11231

BibTeX

@article{Taylor_2014, title={A RESTful API for exchanging materials data in the AFLOWLIB.org consortium}, volume={93}, ISSN={0927-0256}, url={http://dx.doi.org/10.1016/j.commatsci.2014.05.014}, DOI={10.1016/j.commatsci.2014.05.014}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Taylor, Richard H. and Rose, Frisco and Toher, Cormac and Levy, Ohad and Yang, Kesong and Buongiorno Nardelli, Marco and Curtarolo, Stefano}, year={2014}, month=oct, pages={178–192} }

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      "year": "2012",
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      "DOI": "10.1021/ja9105623",
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      "author": "Levy",
      "year": "2010",
      "journal-title": "J. Am. Chem. Soc."
    },
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      "year": "2010",
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      "journal-title": "Phys. Rev. B"
    },
    {
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      "first-page": "179",
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      "author": "Chepulskii",
      "year": "2010",
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    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0125",
      "doi-asserted-by": "crossref",
      "first-page": "833",
      "DOI": "10.1021/ja908879y",
      "volume": "132",
      "author": "Levy",
      "year": "2010",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0130",
      "doi-asserted-by": "crossref",
      "first-page": "084101",
      "DOI": "10.1103/PhysRevB.84.084101",
      "volume": "84",
      "author": "Taylor",
      "year": "2011",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0135",
      "doi-asserted-by": "crossref",
      "first-page": "024112",
      "DOI": "10.1103/PhysRevB.81.024112",
      "volume": "81",
      "author": "Taylor",
      "year": "2010",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0140",
      "doi-asserted-by": "crossref",
      "first-page": "6851",
      "DOI": "10.1021/ja101890k",
      "volume": "132",
      "author": "Taylor",
      "year": "2010",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0145",
      "doi-asserted-by": "crossref",
      "first-page": "221908",
      "DOI": "10.1063/1.3522652",
      "volume": "97",
      "author": "Chepulskii",
      "year": "2010",
      "journal-title": "Appl. Phys. Lett."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0150",
      "doi-asserted-by": "crossref",
      "first-page": "158",
      "DOI": "10.1021/ja1091672",
      "volume": "133",
      "author": "Levy",
      "year": "2011",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0155",
      "doi-asserted-by": "crossref",
      "first-page": "214110",
      "DOI": "10.1103/PhysRevB.84.214110",
      "volume": "84",
      "author": "Jahnatek",
      "year": "2011",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0160",
      "series-title": "Learning SQL",
      "author": "Beaulieu",
      "year": "2009"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0165",
      "unstructured": "The Open Group, 2013. <http://opengroup.org/austin/papers/posix_faq.html>."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0170",
      "unstructured": "World Wide Web Consortium, HTML 4.01 Specification, 1999. <http://www.w3.org/TR/REC-html40/>."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0175",
      "doi-asserted-by": "crossref",
      "first-page": "11169",
      "DOI": "10.1103/PhysRevB.54.11169",
      "volume": "54",
      "author": "Kresse",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0180",
      "first-page": "395502",
      "volume": "21",
      "author": "Giannozzi",
      "year": "2009",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0185",
      "doi-asserted-by": "crossref",
      "first-page": "446",
      "DOI": "10.1016/j.commatsci.2013.08.053",
      "volume": "81",
      "author": "Garrity",
      "year": "2014",
      "journal-title": "Comput. Mater. Sci."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0190",
      "series-title": "Binary Alloy Phase Diagrams",
      "year": "1990"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0195",
      "unstructured": "M. Mehl, Naval Research Laboratory Crystal Structure database, 2011. <http://cst-www.nrl.navy.mil/lattice/>."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0200",
      "doi-asserted-by": "crossref",
      "first-page": "c409",
      "DOI": "10.1107/S0108767378088492",
      "volume": "49",
      "author": "Mighell",
      "year": "1993",
      "journal-title": "Acta Crystallogr. Sect. A"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0205",
      "doi-asserted-by": "crossref",
      "first-page": "c367",
      "DOI": "10.1107/S010876730209966X",
      "volume": "A58",
      "author": "Karen",
      "year": "2002",
      "journal-title": "Acta Cryst."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0210",
      "doi-asserted-by": "crossref",
      "first-page": "575",
      "DOI": "10.1107/S010876730503179X",
      "volume": "A61",
      "author": "Brown",
      "year": "2005",
      "journal-title": "Acta Cryst."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0215",
      "first-page": "011019",
      "volume": "4",
      "author": "Carrete",
      "year": "2014",
      "journal-title": "Phys. Rev. X"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0220",
      "doi-asserted-by": "crossref",
      "first-page": "224115",
      "DOI": "10.1103/PhysRevB.77.224115",
      "volume": "77",
      "author": "Hart",
      "year": "2008",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0225",
      "doi-asserted-by": "crossref",
      "first-page": "014120",
      "DOI": "10.1103/PhysRevB.80.014120",
      "volume": "80",
      "author": "Hart",
      "year": "2009",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0230",
      "unstructured": "International Digital Object Identifier Foundation, Digital Object Identifier, 2011. <http://www.doi.org>."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0235",
      "doi-asserted-by": "crossref",
      "first-page": "228",
      "DOI": "10.1109/JRPROC.1961.287814",
      "volume": "49",
      "author": "Peterson",
      "year": "1961",
      "journal-title": "Proc. IRE"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0240",
      "unstructured": "D. Crockford, Introducing JSON, 2009. <http://www.json.org>."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0245",
      "unstructured": "The PHP Group, 2001. <http://www.php.net>."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0250",
      "series-title": "International Tables of Crystallography, Volume A: Space-group Symmetry",
      "year": "2002"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0255",
      "doi-asserted-by": "crossref",
      "first-page": "15",
      "DOI": "10.1524/zkri.2006.221.1.15",
      "volume": "221",
      "author": "Aroyo",
      "year": "2006",
      "journal-title": "Z. Kristallogr."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0260",
      "doi-asserted-by": "crossref",
      "first-page": "299",
      "DOI": "10.1016/j.commatsci.2010.05.010",
      "volume": "49",
      "author": "Setyawan",
      "year": "2010",
      "journal-title": "Comput. Mater. Sci."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0265",
      "first-page": "767",
      "volume": "9",
      "author": "Anisimov",
      "year": "1997",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0270",
      "doi-asserted-by": "crossref",
      "first-page": "14",
      "DOI": "10.1002/qua.24521",
      "volume": "114",
      "author": "Himmetoglu",
      "year": "2014",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0275",
      "doi-asserted-by": "crossref",
      "first-page": "R5467",
      "DOI": "10.1103/PhysRevB.52.R5467",
      "volume": "52",
      "author": "Liechtenstein",
      "year": "1995",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0280",
      "doi-asserted-by": "crossref",
      "first-page": "1505",
      "DOI": "10.1103/PhysRevB.57.1505",
      "volume": "57",
      "author": "Dudarev",
      "year": "1998",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0285",
      "series-title": "Pearson\u2019s Handbook of Crystallographic Data for Intermetallic Phases",
      "author": "Villars",
      "year": "1991"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0290",
      "doi-asserted-by": "crossref",
      "first-page": "2989",
      "DOI": "10.1109/TNS.2009.2027019",
      "volume": "56",
      "author": "Setyawan",
      "year": "2009",
      "journal-title": "IEEE Trans. Nucl. Sci."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0295",
      "first-page": "148",
      "volume": "D65",
      "author": "Spek",
      "year": "2009",
      "journal-title": "Acta Cryst."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0300",
      "doi-asserted-by": "crossref",
      "first-page": "237",
      "DOI": "10.1107/S0021889804031528",
      "volume": "38",
      "author": "Stokes",
      "year": "2005",
      "journal-title": "J. Appl. Cryst."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0305",
      "series-title": "IUPAC, Compendium of Chemical Terminology, 2nd ed. (the \u201cGold Book\u201d)",
      "author": "McNaught",
      "year": "1997"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0310",
      "doi-asserted-by": "crossref",
      "first-page": "012201",
      "DOI": "10.1103/PhysRevB.85.012201",
      "volume": "85",
      "author": "Levy",
      "year": "2012",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0315",
      "doi-asserted-by": "crossref",
      "first-page": "469",
      "DOI": "10.1145/235815.235821",
      "volume": "22",
      "author": "Barber",
      "year": "1996",
      "journal-title": "ACM Trans. Math. Soft."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0320",
      "series-title": "Gnuplot in Action",
      "author": "Janert",
      "year": "2009"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0325",
      "doi-asserted-by": "crossref",
      "first-page": "285",
      "DOI": "10.1088/0022-3719/19/3/002",
      "volume": "19",
      "author": "Pettifor",
      "year": "1986",
      "journal-title": "J. Phys. C: Solid State Phys."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0330",
      "doi-asserted-by": "crossref",
      "first-page": "1279",
      "DOI": "10.1007/BF01162033",
      "volume": "23",
      "author": "Kutaitsev",
      "year": "1967",
      "journal-title": "Sov. Atom. Energy"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0335",
      "doi-asserted-by": "crossref",
      "first-page": "564",
      "DOI": "10.1107/S0567740873002918",
      "volume": "29",
      "author": "Cromer",
      "year": "1973",
      "journal-title": "Acta Crystallogr. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0340",
      "series-title": "Pearson\u2019s Crystal Data \u2013 Crystal Structure Database for Inorganic Compounds",
      "author": "Villars",
      "year": "2013"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0345",
      "doi-asserted-by": "crossref",
      "first-page": "157",
      "DOI": "10.1016/0022-5088(86)90090-1",
      "volume": "125",
      "author": "Saburi",
      "year": "1986",
      "journal-title": "J. Less-Common Met."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0350",
      "doi-asserted-by": "crossref",
      "first-page": "966",
      "DOI": "10.1107/S0108768106036457",
      "volume": "62",
      "author": "Tirry",
      "year": "2006",
      "journal-title": "Acta Crystallogr. B"
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0355",
      "doi-asserted-by": "crossref",
      "first-page": "121",
      "DOI": "10.1016/0022-5088(74)90221-5",
      "volume": "34",
      "author": "Palenzona",
      "year": "1974",
      "journal-title": "J. Less-Common Met."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0360",
      "doi-asserted-by": "crossref",
      "first-page": "121",
      "DOI": "10.1016/0925-8388(93)90871-J",
      "volume": "201",
      "author": "Bendersky",
      "year": "1993",
      "journal-title": "J. Alloys Compound."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0365",
      "doi-asserted-by": "crossref",
      "first-page": "123",
      "DOI": "10.1016/j.jallcom.2006.04.055",
      "volume": "430",
      "author": "Stalick",
      "year": "2007",
      "journal-title": "J. Alloys Compound."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0370",
      "doi-asserted-by": "crossref",
      "first-page": "L5",
      "DOI": "10.1016/S0925-8388(96)02417-6",
      "volume": "252",
      "author": "Bendersky",
      "year": "1997",
      "journal-title": "J. Alloys Compound."
    },
    {
      "key": "10.1016/j.commatsci.2014.05.014_b0375",
      "doi-asserted-by": "crossref",
      "first-page": "15",
      "DOI": "10.1007/s11669-013-0268-4",
      "volume": "35",
      "author": "Stalick",
      "year": "2014",
      "journal-title": "J. Phase Equilib. Diffus."
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