Crystallography Open Database

Result : There are 111 entries in the selection

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Searching journal of publication like 'Scientific Reports'

COD ID: 1529337
CIF file

HKL data

Formula: - Eu0.12 Na3.88 O24 Sc4 Si8 -
Comments: Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports 3(3310) (2013) 1-7
Space group: C 1 2/c 1
Cell volume: 455.9
Cell parameters: 9.83633; 9.06851; 5.34709; 90; 107.09; 90;  

COD ID: 1529338
CIF file

HKL data

Formula: - Ca0.68 Eu0.12 Mg0.7 Na3.2 O24 Sc3.3 Si8 -
Comments: Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports 3(3310) (2013) 1-7
Space group: C 1 2/c 1
Cell volume: 453.342
Cell parameters: 9.81825; 9.04929; 5.32748; 90; 106.713; 90;  

COD ID: 1529339
CIF file

HKL data

Formula: - Ca2.94 Eu0.2 Mg3.1 Na0.86 O24 Sc0.9 Si8 -
Comments: Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports 3(3310) (2013) 1-7
Space group: C 1 2/c 1
Cell volume: 444.78
Cell parameters: 9.77208; 8.97795; 5.27439; 90; 106.014; 90;  

COD ID: 1529340
CIF file

HKL data

Formula: - Ca1.66 Eu0.12 Mg1.71 Na2.22 O24 Sc2.29 Si8 -
Comments: Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports 3(3310) (2013) 1-7
Space group: C 1 2/c 1
Cell volume: 449.574
Cell parameters: 9.79577; 9.01952; 5.30306; 90; 106.359; 90;  

COD ID: 1529341
CIF file

HKL data

Formula: - Ca2.36 Eu0.12 Mg2.44 Na1.52 O24 Sc1.56 Si8 -
Comments: Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports 3(3310) (2013) 1-7
Space group: C 1 2/c 1
Cell volume: 447.07
Cell parameters: 9.78235; 8.99721; 5.28777; 90; 106.133; 90;  

COD ID: 1529342
CIF file

HKL data

Formula: - Ca3.13 Eu0.12 Mg3.23 Na0.75 O24 Sc0.77 Si8 -
Comments: Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports 3(3310) (2013) 1-7
Space group: C 1 2/c 1
Cell volume: 443.85
Cell parameters: 9.76484; 8.97439; 5.26841; 90; 105.979; 90;  

COD ID: 1529343
CIF file

HKL data

Formula: - Ca3.88 Eu0.12 O24 Si8 -
Comments: Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports 3(3310) (2013) 1-7
Space group: C 1 2/c 1
Cell volume: 440.855
Cell parameters: 9.74888; 8.9529; 5.250985; 90; 105.864; 90;  

COD ID: 1529492
CIF file

HKL data

Formula: - Al4 Mg2 O18 Si5 -
Comments: Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports 5 (2015) 12149-12153
Space group: P 6/m c c
Cell volume: 774.56
Cell parameters: 9.78698; 9.78698; 9.33739; 90; 90; 120;  

COD ID: 1529493
CIF file

HKL data

Formula: - Al8.33 K0.34 Mg4 O36 Si9.67 -
Comments: Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports 5 (2015) 12149-12153
Space group: P 6/m c c
Cell volume: 775.64
Cell parameters: 9.79306; 9.79306; 9.33885; 90; 90; 120;  

COD ID: 1529494
CIF file

HKL data

Formula: - Al8.51 K0.52 Mg4 O36 Si9.49 -
Comments: Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports 5 (2015) 12149-12153
Space group: P 6/m c c
Cell volume: 776.03
Cell parameters: 9.79423; 9.79423; 9.34129; 90; 90; 120;  

COD ID: 1529495
CIF file

HKL data

Formula: - Al9 K Mg4 O36 Si9 -
Comments: Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports 5 (2015) 12149-12153
Space group: P 6/m c c
Cell volume: 778.76
Cell parameters: 9.79964; 9.79964; 9.36376; 90; 90; 120;  

COD ID: 1529496
CIF file

HKL data

Formula: - Al9.02 Mg4 O36 Rb0.99 Si8.98 -
Comments: Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports 5 (2015) 12149-12153
Space group: P 6/m c c
Cell volume: 778.97
Cell parameters: 9.79552; 9.79552; 9.37418; 90; 90; 120;  

COD ID: 1529497
CIF file

HKL data

Formula: - Al8.51 Mg4 O36 Rb0.52 Si9.49 -
Comments: Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports 5 (2015) 12149-12153
Space group: P 6/m c c
Cell volume: 776.69
Cell parameters: 9.79723; 9.79723; 9.34351; 90; 90; 120;  

COD ID: 1529498
CIF file

HKL data

Formula: - Al9 Mg4 O36 Rb Si9 -
Comments: Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports 5 (2015) 12149-12153
Space group: P 6/m c c
Cell volume: 778.48
Cell parameters: 9.79795; 9.79795; 9.3637; 90; 90; 120;  

COD ID: 1545048
CIF file Formula: - H0.162 Mg1.8965 O4 Si1.001 -
Comments: Purevjav, N.; Okuchi, T.; Tomioka, N.; Wang, X.; Hoffmann, C. Quantitative analysis of hydrogen sites and occupancy in deep mantle hydrous wadsleyite using single crystal neutron diffraction : Sample at 295 K Scientific Reports 6 (2016) 34988--
Space group: I m m a
Cell volume: 540.51
Cell parameters: 5.6865; 11.515; 8.2545; 90; 90; 90;  

COD ID: 1545302
CIF file Formula: - Au -
Comments: Jany, B. R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K. H. W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F. Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface Scientific Reports 7 (2017) 42420
Space group: P 63/m m c
Cell volume: 35.542
Cell parameters: 2.9; 2.9; 4.88; 90; 90; 120;  

COD ID: 1545547
CIF file Formula: - Bi2 O3 -
Comments: Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M. Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph Scientific Reports 6 (2016) 39561-39561
Space group: P -4 21 c
Cell volume: 338.115
Cell parameters: 7.7299; 7.7299; 5.6587; 90; 90; 90;  

COD ID: 1547276
CIF file Formula: - Fe7 O9 -
Comments: Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports 6 (2016) 32852
Space group: C 1 2/m 1
Cell volume: 314.1
Cell parameters: 9.696; 2.8947; 11.428; 90; 101.69; 90;  

COD ID: 1547277
CIF file Formula: - Fe5.94 Mg1.06 O9 -
Comments: Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports 6 (2016) 32852
Space group: C 1 2/m 1
Cell volume: 313.77
Cell parameters: 9.6901; 2.8943; 11.4397; 90; 102.045; 90;  

COD ID: 1547347
CIF file Formula: - C Ca O -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 367.394
Cell parameters: 4.9877; 4.9877; 17.053; 90; 90; 120;  

COD ID: 1547348
CIF file Formula: - C Ca O -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 367.604
Cell parameters: 4.988; 4.988; 17.0607; 90; 90; 120;  

COD ID: 1547349
CIF file Formula: - C Ca O -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 367.277
Cell parameters: 4.986; 4.986; 17.0592; 90; 90; 120;  

COD ID: 1547350
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 367.476
Cell parameters: 4.9876; 4.9876; 17.0575; 90; 90; 120;  

COD ID: 1547351
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 369.331
Cell parameters: 4.9804; 4.9804; 17.1932; 90; 90; 120;  

COD ID: 1547352
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 370.213
Cell parameters: 4.978; 4.978; 17.2509; 90; 90; 120;  

COD ID: 1547353
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 371.301
Cell parameters: 4.9763; 4.9763; 17.3134; 90; 90; 120;  

COD ID: 1547354
CIF file Formula: - C Ca O -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 371.144
Cell parameters: 4.9768; 4.9768; 17.3026; 90; 90; 120;  

COD ID: 1547355
CIF file Formula: - C Ca O -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 372.446
Cell parameters: 4.9756; 4.9756; 17.3717; 90; 90; 120;  

COD ID: 1547356
CIF file Formula: - C Ca O -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 373.958
Cell parameters: 4.9752; 4.9752; 17.445; 90; 90; 120;  

COD ID: 1547370
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 373.921
Cell parameters: 4.9747; 4.9747; 17.4468; 90; 90; 120;  

COD ID: 1547371
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 379.78
Cell parameters: 4.9694; 4.9694; 17.758; 90; 90; 120;  

COD ID: 1547372
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 380.641
Cell parameters: 4.9679; 4.9679; 17.809; 90; 90; 120;  

COD ID: 1547373
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 374.843
Cell parameters: 4.9745; 4.9745; 17.4912; 90; 90; 120;  

COD ID: 1547374
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 375.724
Cell parameters: 4.9746; 4.9746; 17.5316; 90; 90; 120;  

COD ID: 1547375
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 375.811
Cell parameters: 4.9738; 4.9738; 17.5413; 90; 90; 120;  

COD ID: 1547376
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 376.098
Cell parameters: 4.9738; 4.9738; 17.5547; 90; 90; 120;  

COD ID: 1547377
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 376.635
Cell parameters: 4.9738; 4.9738; 17.5798; 90; 90; 120;  

COD ID: 1547378
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 377.421
Cell parameters: 4.9725; 4.9725; 17.6257; 90; 90; 120;  

COD ID: 1547379
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 378.653
Cell parameters: 4.9728; 4.9728; 17.6811; 90; 90; 120;  

COD ID: 1547380
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 c :H
Cell volume: 378.635
Cell parameters: 4.9714; 4.9714; 17.6902; 90; 90; 120;  

COD ID: 1547381
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 m :H
Cell volume: 190.733
Cell parameters: 4.9699; 4.9699; 8.9166; 90; 90; 120;  

COD ID: 1547382
CIF file Formula: - C Ca O3 -
Comments: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports 3 (2013) 2832
Space group: R -3 m :H
Cell volume: 191.079
Cell parameters: 4.9689; 4.9689; 8.9364; 90; 90; 120;  

COD ID: 1548453
CIF file Formula: - C H0.378 D5.622 I3 N Pb -
Comments: P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports 6 (2016) 35685
Space group: P n m a
Cell volume: 949.381
Cell parameters: 8.81155; 12.58714; 8.55975; 90; 90; 90;  

COD ID: 1548467
CIF file Formula: - C H0.378 D5.622 I3 N Pb -
Comments: P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports 6 (2016) 35685
Space group: I 4/m c m
Cell volume: 982.458
Cell parameters: 8.79948; 8.79948; 12.6882; 90; 90; 90;  

COD ID: 1548468
CIF file Formula: - C H0.378 D5.622 I3 N Pb -
Comments: P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports 6 (2016) 35685
Space group: P m -3 m
Cell volume: 250.821
Cell parameters: 6.30649; 6.30649; 6.30649; 90; 90; 90;  

COD ID: 1548469
CIF file Formula: - Fe0.48 Mg0.52 O3 Si -
Comments: Luca Bindi; Ming Chen; Xiande Xie Discovery of the Fe-analogue of akimotoite in the shocked Suizhou L6 chondrite Scientific Reports 7 (2017) 42674
Space group: R -3 :H
Cell volume: 266.82
Cell parameters: 4.7483; 4.7483; 13.665; 90; 90; 120;  

COD ID: 1548471
CIF file Formula: - Ba3 Br Fe S4 -
Comments: Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports 5 (2015) 15910
Space group: P n m a
Cell volume: 999.85
Cell parameters: 12.343; 9.5901; 8.4468; 90; 90; 90;  

COD ID: 1548472
CIF file Formula: - Ba3 Br Fe S4 -
Comments: Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports 5 (2015) 15910
Space group: P n m a
Cell volume: 1003.8
Cell parameters: 12.3636; 9.5974; 8.4596; 90; 90; 90;  

COD ID: 1548473
CIF file Formula: - Ba3 Br Fe S4 -
Comments: Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports 5 (2015) 15910
Space group: P n m a
Cell volume: 1012.21
Cell parameters: 12.4081; 9.6132; 8.4859; 90; 90; 90;  

COD ID: 1548484
CIF file Formula: - C49 H36 F6 Mn2 N4 O10 S2 -
Comments: Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex Scientific Reports 6 (2016) 23785
Space group: P 21 c n
Cell volume: 5099
Cell parameters: 6.613; 25.081; 30.74; 90; 90; 90;  

COD ID: 1548485
CIF file Formula: - C53 H52 F6 Mn2 N4 O12 S2 -
Comments: Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex Scientific Reports 6 (2016) 23785
Space group: P 21 c n
Cell volume: 5352.4
Cell parameters: 6.5329; 26.757; 30.62; 90; 90; 90;  

COD ID: 1548523
CIF file Formula: - C4 H12 Al3 F N O12.5 P3 -
Comments: Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports 5 (2015) 14940
Space group: P -1
Cell volume: 771.4
Cell parameters: 9.199; 9.202; 9.295; 87.525; 79.027; 87.884;  

COD ID: 1548524
CIF file Formula: - C3 H12 Al3 F N O13 P3 -
Comments: Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports 5 (2015) 14940
Space group: P -1
Cell volume: 774
Cell parameters: 9.1231; 9.2411; 9.3426; 86.769; 79.946; 87.846;  

COD ID: 1548525
CIF file Formula: - C5 H12.5 Al3 F N O12.25 P3 -
Comments: Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports 5 (2015) 14940
Space group: P -1
Cell volume: 771.76
Cell parameters: 9.18; 9.1957; 9.3606; 86.532; 78.192; 87.739;  

COD ID: 1548604
CIF file Formula: - C12 H20 N2 O7 -
Comments: Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations Scientific Reports 3 (2013) 1058
Space group: C 1 2/c 1
Cell volume: 3066.1
Cell parameters: 19.957; 9.858; 15.78; 90; 99.02; 90;  

COD ID: 1548605
CIF file Formula: - C11 H18 N2 O6 -
Comments: Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations Scientific Reports 3 (2013) 1058
Space group: P -1
Cell volume: 681.9
Cell parameters: 8.6838; 8.8343; 10.114; 80.33; 72.94; 67.07;  

COD ID: 1548642
CIF file Formula: - C124 H230 N20 Ni4 O61 -
Comments: Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units Scientific Reports 2 (2012) 668
Space group: I -4
Cell volume: 8004.5
Cell parameters: 30.0315; 30.0315; 8.8752; 90; 90; 90;  

COD ID: 1548643
CIF file Formula: - C107 H244 F6 N23 Ni5 O63 P -
Comments: Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units Scientific Reports 2 (2012) 668
Space group: P -1
Cell volume: 7388.9
Cell parameters: 18.6018; 20.4447; 23.3295; 102.63; 108.244; 109.763;  

COD ID: 1548644
CIF file Formula: - C138 H255 Cl N28 Ni6 O59 -
Comments: Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units Scientific Reports 2 (2012) 668
Space group: F d -3 m :2
Cell volume: 35544.1
Cell parameters: 32.8793; 32.8793; 32.8793; 90; 90; 90;  

COD ID: 1565813
CIF file Formula: - Fe7 O38 P11 -
Comments: Goj, Pawel; Wajda, Aleksandra; Blachowski, Artur; Stoch, Pawel A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification Scientific Reports 11(1) (2021) 22957
Space group: P 63
Cell volume: 1342.9
Cell parameters: 14.4504; 14.4504; 7.42607; 90; 90; 120;  

COD ID: 1566650
CIF file Formula: - D2 O -
Comments: Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports 6 (2016) 28920
Space group: P m m n :2
Cell volume: 225.15
Cell parameters: 6.245; 6.242; 5.77577; 90; 90; 90;  

COD ID: 1566660
CIF file Formula: - D2 O -
Comments: Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports 6 (2016) 28920
Space group: P 42/n m c :2
Cell volume: 224.691
Cell parameters: 6.2446; 6.2446; 5.76203; 90; 90; 90;  

COD ID: 1568403
CIF file Formula: - C22 H32 Cl4 N8 O4 Pd2 S4 -
Comments: Javier Espino; Elena Fernández-Delgado; Samuel Estirado; Francisco Luna-Giles; Felipe de la Cruz-Martinez; Sergio Villa-Carballar; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Jos'e A. Pariente Synthesis and structure of a new thiazoline-based palladium(II) complex that promotes cytotoxicity and apoptosis of human promyelocytic leukemia HL-60 cells Scientific Reports 10 (2020) 16745
Space group: P 1 21/c 1
Cell volume: 6683
Cell parameters: 14.184; 21.669; 21.746; 90; 90.63; 90;  

COD ID: 3000243
CIF file Formula: - C Si -
Comments: El Mendili, Yassine; Orberger, Beate; Chateigner, Daniel; Bardeau, Jean-François; Gascoin, Stéphanie; Petit, Sébastien; Perez, Olivier; Khadraoui, Fouzia Insight into the structural, elastic and electronic properties of a new orthorhombic 6O-SiC polytype Scientific Reports 10(1) (2020) 7562
Space group: C m c 21
Cell volume: 248.3
Cell parameters: 3.0778; 5.335; 15.1219; 90; 90; 90;  

COD ID: 3000327
CIF file Formula: - Fe3 O4 -
Comments: Paul, Tanmoy A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distribution function of relaxation times (DFRTs) analyses Scientific Reports (2022) 4851
Space group: F d -3 m :2
Cell volume: 592.518
Cell parameters: 8.39912; 8.39912; 8.39912; 90; 90; 90;  

COD ID: 3000328
CIF file Formula: - Fe3 O4 -
Comments: Paul, Tanmoy A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distrib analyses Scientific Reports (2022) 4851
Space group: P b c m
Cell volume: 249.716
Cell parameters: 2.8202; 9.4378; 9.382; 90; 90; 90;  

COD ID: 3000344
CIF file Formula: - O2 V -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.022
Cell parameters: 5.752316; 4.525392; 5.382368; 90; 122.611; 90;  

COD ID: 3000345
CIF file Formula: - O2 V0.989 W0.011 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.263
Cell parameters: 5.756886; 4.528684; 5.383653; 90; 122.586; 90;  

COD ID: 3000346
CIF file Formula: - O2 V0.973 W0.027 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.465
Cell parameters: 5.765868; 4.531848; 5.384223; 90; 122.645; 90;  

COD ID: 3000347
CIF file Formula: - O V0.488 W0.012 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 42/m n m
Cell volume: 59.221
Cell parameters: 4.554985; 4.554985; 2.854296; 90; 90; 90;  

COD ID: 3000348
CIF file Formula: - O2 V0.957 W0.043 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 119.431
Cell parameters: 5.740803; 4.593496; 5.356922; 90; 122.28; 90;  

COD ID: 3000349
CIF file Formula: - O V0.481 W0.019 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 42/m n m
Cell volume: 59.378
Cell parameters: 4.55898; 4.55898; 2.856885; 90; 90; 90;  

COD ID: 3000350
CIF file Formula: - O V0.468 W0.032 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 42/m n m
Cell volume: 59.604
Cell parameters: 4.56274; 4.56274; 2.863021; 90; 90; 90;  

COD ID: 3000351
CIF file Formula: - O V0.455 W0.045 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 42/m n m
Cell volume: 59.811
Cell parameters: 4.566021; 4.566021; 2.868822; 90; 90; 90;  

COD ID: 3000352
CIF file Formula: - O V0.448 W0.052 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 42/m n m
Cell volume: 59.976
Cell parameters: 4.569537; 4.569537; 2.87232; 90; 90; 90;  

COD ID: 3000353
CIF file Formula: - O V0.425 W0.075 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 42/m n m
Cell volume: 60.19
Cell parameters: 4.572685; 4.572685; 2.878604; 90; 90; 90;  

COD ID: 3000354
CIF file

HKL data

Formula: - O V0.462 W0.038 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 42/m n m
Cell volume: 60.0835
Cell parameters: 4.56124; 4.56124; 2.88795; 90; 90; 90;  

COD ID: 3000355
CIF file

HKL data

Formula: - O V0.453 W0.047 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 42/m n m
Cell volume: 60.247
Cell parameters: 4.56631; 4.56631; 2.88937; 90; 90; 90;  

COD ID: 3000356
CIF file

HKL data

Formula: - O V0.433 W0.067 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 42/m n m
Cell volume: 59.9331
Cell parameters: 4.57222; 4.57222; 2.8669; 90; 90; 90;  

COD ID: 3000362
CIF file Formula: - O2 V0.992 W0.008 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1
Cell volume: 118.343
Cell parameters: 5.70293; 4.55591; 5.39085; 90; 122.337; 90;  

COD ID: 3000363
CIF file Formula: - O2 V0.992 W0.008 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1
Cell volume: 58.97
Cell parameters: 4.54028; 4.54028; 2.86067; 90; 90; 90;  

COD ID: 3000364
CIF file Formula: - O2 V0.975 W0.025 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1
Cell volume: 118.836
Cell parameters: 5.77225; 4.54015; 5.40157; 90; 122.914; 90;  

COD ID: 3000365
CIF file Formula: - O2 V0.975 W0.025 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1
Cell volume: 59.283
Cell parameters: 4.5539; 4.5539; 2.85868; 90; 90; 90;  

COD ID: 3000366
CIF file Formula: - O2 V0.964 W0.036 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1
Cell volume: 59.429
Cell parameters: 4.55959; 4.55959; 2.85856; 90; 90; 90;  

COD ID: 3000367
CIF file Formula: - O2 V0.937 W0.063 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1
Cell volume: 59.644
Cell parameters: 4.56377; 4.56377; 2.86364; 90; 90; 90;  

COD ID: 3000368
CIF file Formula: - O2 V0.911 W0.089 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1
Cell volume: 59.878
Cell parameters: 4.56774; 4.56774; 2.86988; 90; 90; 90;  

COD ID: 3000369
CIF file Formula: - O2 V0.896 W0.104 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1
Cell volume: 60.073
Cell parameters: 4.5719; 4.5719; 2.87401; 90; 90; 90;  

COD ID: 3000370
CIF file Formula: - O2 V0.85 W0.15 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1
Cell volume: 60.207
Cell parameters: 4.57297; 4.57297; 2.87908; 90; 90; 90;  

COD ID: 3000375
CIF file Formula: - O2 Sc0.005 V0.995 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.244
Cell parameters: 5.755932; 4.528083; 5.385573; 90; 122.606; 90;  

COD ID: 3000376
CIF file Formula: - O2 Sc0.007 V0.993 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.214
Cell parameters: 5.755554; 4.527687; 5.384285; 90; 122.593; 90;  

COD ID: 3000377
CIF file Formula: - O2 Sc0.003 V0.997 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.265
Cell parameters: 5.756384; 4.528615; 5.386136; 90; 122.617; 90;  

COD ID: 3000378
CIF file Formula: - O2 Sc0.018 V0.982 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.153
Cell parameters: 5.754162; 4.527055; 5.384134; 90; 122.603; 90;  

COD ID: 3000379
CIF file Formula: - O2 Sc0.021 V0.979 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.217
Cell parameters: 5.755693; 4.527684; 5.383801; 90; 122.585; 90;  

COD ID: 3000380
CIF file Formula: - O2 Sc0.015 V0.985 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.284
Cell parameters: 5.756596; 4.528448; 5.386749; 90; 122.613; 90;  

COD ID: 3000381
CIF file Formula: - O2 Sc0.047 V0.953 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.243
Cell parameters: 5.755818; 4.52814; 5.384144; 90; 122.582; 90;  

COD ID: 3000382
CIF file Formula: - Cr0.005 O2 V0.995 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: P 1 21/c 1
Cell volume: 118.1
Cell parameters: 5.753169; 4.526911; 5.381891; 90; 122.588; 90;  

COD ID: 3000383
CIF file Formula: - Cr0.02 O4 V1.98 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: C 1 2/m 1
Cell volume: 236.416
Cell parameters: 9.065126; 5.767309; 4.522985; 90; 91.1962; 90;  

COD ID: 3000384
CIF file Formula: - Cr0.06 O4 V1.94 -
Comments: Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports 12 (2022) 14767
Space group: C 1 2/m 1
Cell volume: 237.503
Cell parameters: 9.064784; 5.791293; 4.526692; 90; 91.9246; 90;  

COD ID: 3000399
CIF file Formula: - Ga12 Rh4 -
Comments: Wittkämper, Haiko; Hock, Rainer; Weißer, Matthias; Dallmann, Johannes; Vogel, Carola; Raman, Narayanan; Taccardi, Nicola; Haumann, Marco; Wasserscheid, Peter; Hsieh, Tzung-En; Maisel, Sven; Moritz, Michael; Wichmann, Christoph; Frisch, Johannes; Gorgoi, Mihaela; Wilks, Regan G.; Bär, Marcus; Wu, Mingjian; Spiecker, Erdmann; Görling, Andreas; Unruh, Tobias; Steinrück, Hans-Peter; Papp, Christian Isolated Rh atoms in dehydrogenation catalysis Scientific Reports 13(1) (2023) 4458
Space group: C m c 21
Cell volume: 249.002
Cell parameters: 3.2116; 9.1666; 8.4581; 90; 90; 90;  

COD ID: 3000452
CIF file Formula: - C2 H2 Mg O2 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 3 m 1
Cell volume: 183.256
Cell parameters: 2.7117; 2.7117; 28.776899; 90; 90; 120;  

COD ID: 3000453
CIF file Formula: - C2 H2 Mg O2 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 3 m 1
Cell volume: 181.514
Cell parameters: 2.71133; 2.71133; 28.5112; 90; 90; 120;  

COD ID: 3000454
CIF file Formula: - C2 H2 Mg O2 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 3 m 1
Cell volume: 183.564
Cell parameters: 2.71174; 2.71174; 28.8244; 90; 90; 120;  

COD ID: 3000455
CIF file Formula: - C8 H6 Mg3 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 3
Cell volume: 859.078
Cell parameters: 5.05475; 5.05475; 38.8242; 90; 90; 120;  

COD ID: 3000456
CIF file Formula: - C8 H6 Mg3 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 3 1 m
Cell volume: 859.009
Cell parameters: 5.05492; 5.05492; 38.818501; 90; 90; 120;  

COD ID: 3000457
CIF file Formula: - C8 H6 Mg3 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 3
Cell volume: 859.583
Cell parameters: 5.05489; 5.05489; 38.844898; 90; 90; 120;  

COD ID: 3000458
CIF file Formula: - C8 H5 Al Mg2 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 1
Cell volume: 859.039
Cell parameters: 5.0348; 5.0348; 39.130699; 90; 90; 120;  

COD ID: 3000459
CIF file Formula: - C8 H5 Al Mg2 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 1
Cell volume: 859.038
Cell parameters: 5.0346; 5.0346; 39.133801; 90; 90; 120;  

COD ID: 3000460
CIF file Formula: - C8 H5 Al Mg2 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 1
Cell volume: 859.038
Cell parameters: 5.03492; 5.03492; 39.128799; 90; 90; 120;  

COD ID: 3000461
CIF file Formula: - C8 H5 Al Mg2 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 1
Cell volume: 859.022
Cell parameters: 5.02417; 5.02417; 39.2957; 90; 90; 120;  

COD ID: 3000462
CIF file Formula: - C8 H5 Al Mg2 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 1
Cell volume: 859.025
Cell parameters: 5.03172; 5.03172; 39.178001; 90; 90; 120;  

COD ID: 3000463
CIF file Formula: - C8 H5 Al Mg2 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 1
Cell volume: 858.955
Cell parameters: 5.03194; 5.03194; 39.171398; 90; 90; 120;  


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