builder_meta=EmmetMeta(emmet_version=‘0.18.0’, pymatgen_version=‘2022.0.16’, pull_request=644, database_version=‘2021.11.10’, build_date=datetime.datetime(2021, 11, 25, 10, 35, 33, 701000)) nsites=10 elements=[Element Fe, Element O] nelements=2 composition=Comp: Fe4 O6 composition_reduced=Comp: Fe2 O3 formula_pretty=‘Fe2O3’ formula_anonymous=‘A2B3’ chemsys=‘Fe-O’ volume=104.66803233171899 density=5.0668477980869895 density_atomic=10.466803233171898 symmetry=SymmetryData(crystal_system=<CrystalSystem.trig: ‘Trigonal’>, symbol=‘R-3c’, number=167, point_group=’-3m’, symprec=0.1, version=‘1.16.2’) property_name=‘provenance’ material_id=MPID(mp-19770) deprecated=False deprecation_reasons=None last_updated=datetime.datetime(2021, 11, 25, 10, 35, 33, 701000) origins=[] warnings=[] created_at=datetime.datetime(2017, 7, 18, 8, 19, 36, 23000) references=[’@article{Pailhe2008,\n author = “Pailhe, N. and Wattiaux, A. and Gaudon, M. and Demourgues, A.”,\n title = “Impact of structural features on pigment properties of alpha - Fe2 O3 haematite”,\n journal = “Journal of Solid State Chemistry”,\n year = “2008”,\n volume = “181”,\n pages = “2697-2704”,\n ASTM_id = “JSSCBI”\n}\n’, ‘@article{Shirane1959,\n author = “Shirane, G. and Pickart, S.J. and Nathans, R. and Ishikawa, Y.”,\n title = “Neutron-diffraction study of antiferromagnetic Fe Ti O3 and its solid solutions with alpha-Fe2 O3”,\n journal = “Journal of Physics and Chemistry of Solids”,\n year = “1959”,\n volume = “10”,\n pages = “35-43”,\n ASTM_id = “JPCSAW”\n}\n’, ‘@article{Hill2008,\n author = “Hill, A.H. and Jiao, F. and Bruce, P.G. and Harrison, A. and Kockelmann, W. and Ritter, C.”,\n title = “Neutron diffraction study of mesoporous and bulk hematite, alpha-(Fe2 O3)”,\n journal = “Chemistry of Materials”,\n year = “2008”,\n volume = “20”,\n pages = “4891-4899”,\n ASTM_id = “CMATEX”\n}\n’, ‘@article{Pauling1925,\n author = “Pauling, L. and Hendricks, S.B.”,\n title = “The structure of hematite”,\n journal = “Journal of the American Chemical Society”,\n year = “1925”,\n volume = “47”,\n pages = “781-790”,\n ASTM_id = “JACSAT”\n}\n’, ‘@article{Wolska1989,\n author = “Wolska, E. and Schwertmann, U.”,\n title = “Nonstoichiometric structures during dehydroxylation of goethite”,\n journal = “Zeitschrift fuer Kristallographie (1979-2010)”,\n year = “1989”,\n volume = “189”,\n pages = “223-237”,\n ASTM_id = “ZEKRDZ”\n}\n’, ‘@article{Rozenberg2002,\n author = “Rozenberg, G.Kh. and Dubrovinskii, L.S. and Pasternak, M.P. and Naaman, O. and Le Bihan, T. and Ahuja, R.”,\n title = “High-pressure structural studies of hematite Fe2 O3”,\n journal = “Physical Review, Serie 3. B - Condensed Matter (18,1978-)”,\n year = “2002”,\n volume = “65”,\n pages = “064112-1-064112-8”,\n ASTM_id = “PRBMDO”\n}\n’, ‘@article{Schouwink2011,\n author = “Schouwink, P. and Dubrovinsky, L. and Glazyrin, K. and Merlini, M. and Hanfland, M. and Pippinger, T. and Miletich, R.”,\n title = “High-pressure structural behavior of alpha - Fe2 O3 studied by single-crystal X-ray diffraction and synchrotron radiation up to 25 GPa”,\n journal = “American Mineralogist”,\n year = “2011”,\n volume = “96”,\n pages = “1781-1786”,\n ASTM_id = “AMMIAY”\n}\n’, ‘@article{Finger1980,\n author = “Finger, L.W. and Hazen, R.M.”,\n title = “Crystal structure and isothermal compression of Fe2 O3, Cr2 O3, and V2 O3 to 50 kbars”,\n journal = “Journal of Applied Physics”,\n year = “1980”,\n volume = “51”,\n pages = “5362-5367”,\n ASTM_id = “JAPIAU”\n}\n’, ‘@article{Goyal2012,\n author = “Goyal, G. and Dogra, A. and Rayaprol, S. and Kaushik, S.D. and Siruguri, V. and Kishan, H.”,\n title = “Structural and magnetization studies on nanoparticles of Nd doped alpha-(Fe2 O3)”,\n journal = “Materials Chemistry and Physics”,\n year = “2012”,\n volume = “134”,\n pages = “133-138”,\n ASTM_id = “MCHPDR”\n}\n’, ‘@article{Antipin1985,\n author = “Antipin, M.Yu. and Tsirel’son, V.G. and Flugge, M.P. and Gerr, R.G. and Struchkov, Yu.T. and Ozerov, R.P.”,\n title = “The electron density distribution in hematite, Fe2 O3 alpha, from precision X-ray diffraction data.”,\n journal = “Doklady Akademii Nauk SSSR”,\n year = “1985”,\n volume = “281”,\n pages = “854-857”,\n ASTM_id = “DANKAS”\n}\n’, ‘@article{Perkins1991,\n author = “Perkins, D.A. and Attfield, J.P.”,\n title = “Resonant powder X-ray determination of the cation distribution in Fe Ni2 B O5”,\n journal = “Journal of the Chemical Society. Chemical Communications (1972-)”,\n year = “1991”,\n volume = “1991”,\n pages = “229-231”,\n ASTM_id = “JCCCAT”\n}\n’, ‘@article{Sadykov1996,\n author = “Sadykov, V.A. and Isupova, L.A. and Tsybulya, S.V. and Cherepanova, S.V. and Litvak, G.S. and Burgina, E.B. and Kustova, G.N. and Kolomiichuk, V.N. and Ivanov, V.P. and Paukshtis, E.A. and Golovin, A.V. and Avvakumov, E.G.”,\n title = “Effect of mechanical activation on the real structure and reactivity of iron(III) oxide with corundum-type structure”,\n journal = “Journal of Solid State Chemistry”,\n year = “1996”,\n volume = “123”,\n pages = “191-202”,\n ASTM_id = “JSSCBI”\n}\n’, ‘@article{Maslen1994,\n author = “Maslen, E.N. and Strel’tsov, V.A. and Strel’tsova, N.R. and Ishizawa, N.”,\n title = “Synchrotron X-ray study of the electron density in alpha Fe2 O3”,\n journal = “Acta Crystallographica, Section B: Structural Science”,\n year = “1994”,\n volume = “50”,\n pages = “435-441”,\n ASTM_id = “ASBSDK”\n}\n’, ‘@article{Goldschmidt1928,\n author = “Goldschmidt, V.M. and Barth, T. and Lunde, G.V.V.”,\n title = “Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3”,\n journal = “Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse”,\n year = “1928”,\n volume = “1928”,\n pages = “1-165”,\n ASTM_id = “SUNVAQ”\n}\n’, ‘@article{Cox1962,\n author = “Cox, D.E. and Takei, W.J. and Miller, C. and Shirane, G.”,\n title = “A magnetic and neutron diffraction study of the Fe2 O3 - V2 O3 system”,\n journal = “Journal of Physics and Chemistry of Solids”,\n year = “1962”,\n volume = “23”,\n pages = “863-874”,\n ASTM_id = “JPCSAW”\n}\n’, ‘@article{Sawada1996,\n author = “Sawada, H.”,\n title = “An electron density residual study of alpha-ferric oxide”,\n journal = “Materials Research Bulletin”,\n year = “1996”,\n volume = “31”,\n pages = “141-146”,\n ASTM_id = “MRBUAC”\n}\n’, ‘@article{Olsen1991,\n author = “Olsen, J.S. and Cousins, C.S. and Gerward, L. and Jhans, H. and Sheldon, B.J.”,\n title = “A study of the crystal structure of Fe2 O3 in the pressure range up to 65 GPa using synchrotron radiation”,\n journal = “Physica Scripta”,\n year = “1991”,\n volume = “43”,\n pages = “327-330”,\n ASTM_id = “PHSTBO”\n}\n’, ‘@article{Catti1995,\n author = “Catti, M. and Valerio, G. and Dovesi, R.”,\n title = “Theoretical study of electronic, magnetic, and structural properties of alpha-Fe2 O3 (hematite)”,\n journal = “Physical Review, Serie 3. B - Condensed Matter (18,1978-)”,\n year = “1995”,\n volume = “51”,\n pages = “7441-7450”,\n ASTM_id = “PRBMDO”\n}\n’, ‘@article{Yu1999,\n author = “Yu, S.-C. and Lee, J.-S. and Tung, S.-F. and Lan, C.-L.”,\n title = “Synthesis and structural features of a flux-grown hematite”,\n journal = “Journal of the Geological Society of China (Taiwan)”,\n year = “1999”,\n volume = “42”,\n pages = “349-358”,\n ASTM_id = “JGSCE5”\n}\n’, ‘@article{Taylor1984,\n author = “Taylor, D.”,\n title = “Thermal expansion data: III Sesquioxides, M2O3, with the corundum and the A-, B- and C-M2O3 structures”,\n journal = “Transactions and Journal of the British Ceramic Society”,\n year = “1984”,\n volume = “83”,\n pages = “92-98”,\n ASTM_id = “TJBCAD”\n}\n’, ‘@article{Blake1966,\n author = “Blake, R.L. and Hessevick, R.E. and Zoltai, T. and Finger, L.W.”,\n title = “Refinement of the hematite structure”,\n journal = “American Mineralogist”,\n year = “1966”,\n volume = “51”,\n pages = “123-129”,\n ASTM_id = “AMMIAY”\n}\n’, ‘@article{Tsirel’son1988,\n author = “Tsirel’son, V.G. and Antipin, M.Yu. and Strel’tsov, R.P. and Ozerov, R.P. and Struchkov, Yu.T.”,\n title = “Electron density distribution and electric field gradient in hematite at 153 k determined from precision X-Ray diffraction data”,\n journal = “Doklady Akademii Nauk SSSR”,\n year = “1988”,\n volume = “298”,\n pages = “1137-1141”,\n ASTM_id = “DANKAS”\n}\n’, ‘@article{Shin1993,\n author = “Shin, H.-S. and Kwon, S.-J.”,\n title = “An XRD study on the structures of ferrites: Hematite, Ba-ferrite and Zn2 Y (Ba3 Zn2 Fe12 O22)”,\n journal = “Yoop Hakoechi (Journal of the Korean Ceramic Society)”,\n year = “1993”,\n volume = “30”,\n pages = “499-509”,\n ASTM_id = “YPHJAP”\n}\n’, ‘@article{Kelm2005,\n author = “Kelm, K. and Mader, W.”,\n title = “Synthesis and structural analysis of epsilon-(Fe2 O3)”,\n journal = “Zeitschrift fuer Anorganische und Allgemeine Chemie (1950) (DE)”,\n year = “2005”,\n volume = “631”,\n pages = “2383-2389”,\n ASTM_id = “ZAACAB”\n}\n’, ‘@article{Jain2013,\nauthor = {Jain, Anubhav and Ong, Shyue Ping and Hautier, Geoffroy and Chen, Wei and Richards, William Davidson and Dacek, Stephen and Cholia, Shreyas and Gunter, Dan and Skinner, David and Ceder, Gerbrand and Persson, Kristin a.},\ndoi = {10.1063/1.4812323},\nissn = {2166532X},\njournal = {APL Materials},\nnumber = {1},\npages = {011002},\ntitle = {{The Materials Project: A materials genome approach to accelerating materials innovation}},\nurl = {http://link.aip.org/link/AMPADS/v1/i1/p011002/s1\&Agg=doi},\nvolume = {1},\nyear = {2013}\n}\n\n@misc{MaterialsProject,\ntitle = {{Materials Project}},\nurl = {http://www.materialsproject.org}\n}’] authors=[Author(name=‘Materials Project’, email=‘[email protected]’)] remarks=[‘Diiron(III) oxide - alpha’, ‘Iron(III) oxide - alpha HP1’, ‘Iron(III) oxide’, ‘Hematite’, ‘Iron(III) oxide - alpha’, ‘Diiron(III) oxide - alpha, mesoporous’, ‘High pressure experimental phase’, ‘Iron oxide (2/3)’, ‘Diiron trioxide’, ‘Diiron(III) trioxide - alpha’] tags=[‘Diiron(III) oxide - alpha’, ‘Iron(III) oxide - alpha HP1’, ‘Iron(III) oxide’, ‘Hematite’, ‘Iron(III) oxide - alpha’, ‘Diiron(III) oxide - alpha, mesoporous’, ‘High pressure experimental phase’, ‘Iron oxide (2/3)’, ‘Diiron trioxide’, ‘Diiron(III) trioxide - alpha’] theoretical=False database_IDs={<Database.ICSD: ‘icsd’>: [‘icsd-182839’, ‘icsd-182848’, ‘icsd-82134’, ‘icsd-161290’, ‘icsd-245851’, ‘icsd-161286’, ‘icsd-182840’, ‘icsd-96071’, ‘icsd-182844’, ‘icsd-161289’, ‘icsd-182841’, ‘icsd-182842’, ‘icsd-201097’, ‘icsd-182846’, ‘icsd-96075’, ‘icsd-24791’, ‘icsd-182847’, ‘icsd-173653’, ‘icsd-633039’, ‘icsd-173655’, ‘icsd-161283’, ‘icsd-161288’, ‘icsd-82137’, ‘icsd-201096’, ‘icsd-201098’, ‘icsd-201100’, ‘icsd-88418’, ‘icsd-81248’, ‘icsd-88417’, ‘icsd-41541’, ‘icsd-96072’, ‘icsd-24004’, ‘icsd-82902’, ‘icsd-96076’, ‘icsd-43465’, ‘icsd-66756’, ‘icsd-161287’, ‘icsd-161291’, ‘icsd-82904’, ‘icsd-415251’, ‘icsd-56372’, ‘icsd-40142’, ‘icsd-184766’, ‘icsd-201099’, ‘icsd-64599’, ‘icsd-201101’, ‘icsd-96073’, ‘icsd-82135’, ‘icsd-182845’, ‘icsd-161285’, ‘icsd-15840’, ‘icsd-161292’, ‘icsd-82136’, ‘icsd-82903’, ‘icsd-633032’, ‘icsd-22505’, ‘icsd-161294’, ‘icsd-161293’, ‘icsd-182843’, ‘icsd-96070’, ‘icsd-96069’, ‘icsd-33643’, ‘icsd-71194’, ‘icsd-161284’, ‘icsd-96074’]} history=[History(name=‘ICSD’, url=‘https://icsd.fiz-karlsruhe.de/’, description={‘id’: ‘173655’, ‘experimental’: True}), History(name=‘Materials Project Optimized Structure’, url=‘http://www.materialsproject.org’, description=None)]