Crystallography Open Database
Search results
Result : There are 32 entries in the selection
You can download the COD numbers of the selection as a text file
You can download all files as a single ZIP archive
Searching journal of publication like 'Chemistry of Materials' volume of publication is 34
COD ID: 4004059 | |
CIF file | Formula: - C40 H64 Cl10 N4 Sb2 - Comments: Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield Chemistry of Materials 34(2) (2022) 537-546 Space group: P 1 n 1 Cell volume: 3001.86 Cell parameters: 18.4709; 9.53635; 18.6873; 90; 114.223; 90; |
COD ID: 4004060 | |
CIF file | Formula: - C8 H20 Cl5 N2 Sb - Comments: Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield Chemistry of Materials 34(2) (2022) 537-546 Space group: P b c a Cell volume: 3265.57 Cell parameters: 11.7848; 11.8754; 23.334; 90; 90; 90; |
COD ID: 4004061 | |
CIF file | Formula: - C8 H20 I4 N2 O2 Pb - Comments: Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M. Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning Chemistry of Materials 34(2) (2022) 756-767 Space group: C 1 2/c 1 Cell volume: 1885 Cell parameters: 9.392; 8.6729; 23.2152; 90; 94.5715; 90; |
COD ID: 4004062 | |
CIF file | Formula: - C4 H10 I3 N O Pb - Comments: Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M. Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning Chemistry of Materials 34(2) (2022) 756-767 Space group: P 21 21 21 Cell volume: 1175.89 Cell parameters: 8.1767; 8.7039; 16.5225; 90; 90; 90; |
COD ID: 4004063 | |
CIF file | Formula: - C1.14 H1.43 N0.86 - Comments: Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)− Chemistry of Materials 34(4) (2022) 1976-1984 Space group: P b c a Cell volume: 941.2 Cell parameters: 10.906; 5.7031; 15.132; 90; 90; 90; |
COD ID: 4004064 | |
CIF file | Formula: - C2 H4 N1.5 O1.5 P0.5 - Comments: Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)− Chemistry of Materials 34(4) (2022) 1976-1984 Space group: P 1 21 1 Cell volume: 373.97 Cell parameters: 4.536; 17.4264; 4.7517; 90; 95.35; 90; |
COD ID: 4004065 | |
CIF file | Formula: - C24 H22 Cd I4 N4 O2 - Comments: Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials 34(4) (2022) 1737-1745 Space group: C 1 c 1 Cell volume: 3044.27 Cell parameters: 20.5433; 9.6018; 15.8277; 90; 102.817; 90; |
COD ID: 4004066 | |
CIF file | Formula: - C12 H11 Br N2 O - Comments: Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials 34(4) (2022) 1737-1745 Space group: P 1 21/c 1 Cell volume: 1169.22 Cell parameters: 12.4902; 7.3161; 13.3109; 90; 106; 90; |
COD ID: 4004067 | |
CIF file | Formula: - C12 H11 I N2 O - Comments: Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials 34(4) (2022) 1737-1745 Space group: P 1 21/c 1 Cell volume: 1240.48 Cell parameters: 12.5159; 7.5277; 13.7218; 90; 106.358; 90; |
COD ID: 4004068 | |
CIF file | Formula: - C24 H22 Br4 Cd N4 O2 - Comments: Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials 34(4) (2022) 1737-1745 Space group: P -1 Cell volume: 1429.18 Cell parameters: 9.2789; 9.3226; 16.7163; 97.28; 90.319; 94.783; |
COD ID: 4004069 | |
CIF file | Formula: - C6 H9 Br4 N3 Pb - Comments: Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity Chemistry of Materials 34(4) (2022) 1699-1709 Space group: C 1 2/c 1 Cell volume: 2687.8 Cell parameters: 16.3428; 9.061; 18.5386; 90; 101.743; 90; |
COD ID: 4004070 | |
CIF file | Formula: - C6 H9 Cl4 N3 Pb - Comments: Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity Chemistry of Materials 34(4) (2022) 1699-1709 Space group: P -1 Cell volume: 622.8 Cell parameters: 8.7977; 8.8461; 9.5142; 105.05; 96.33; 115.707; |
COD ID: 4004071 | |
CIF file | Formula: - C6 H9 I4 N3 Pb - Comments: Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity Chemistry of Materials 34(4) (2022) 1699-1709 Space group: C 1 2/c 1 Cell volume: 3102.1 Cell parameters: 17.0883; 9.4534; 19.6226; 90; 101.866; 90; |
COD ID: 4004072 | |
CIF file | Formula: - Ga2 Ir3 La - Comments: Gui, Xin; Cava, Robert J. LaIr3Ga2: A Superconductor Based on a Kagome Lattice of Ir Chemistry of Materials 34(6) (2022) 2824-2832 Space group: P 6/m m m Cell volume: 105.65 Cell parameters: 5.5884; 5.5884; 3.9063; 90; 90; 120; |
COD ID: 4004073 | |
CIF file | Formula: - C19 H29 N5 - Comments: Huang, Xianhui; Shangguan, Zhichun; Zhang, Zhao-Yang; Yu, Chunyang; He, Yixin; Fang, Dong; Sun, Wenjin; Li, Yan-Chun; Yuan, Chenrui; Wu, Si; Li, Tao Visible-Light-Induced Reversible Photochemical Crystal–Liquid Transitions of Azo-Switches for Smart and Robust Adhesives Chemistry of Materials 34(6) (2022) 2636-2644 Space group: P 1 21/c 1 Cell volume: 1842.48 Cell parameters: 16.1515; 6.0242; 20.0589; 90; 109.261; 90; |
COD ID: 4004074 | |
CIF file | Formula: - C32 H48 Ag Cl8 Fe N4 - Comments: Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials 34(6) (2022) 2813-2823 Space group: C 1 2 1 Cell volume: 2060.45 Cell parameters: 38.6306; 7.3226; 7.2843; 90; 90.585; 90; |
COD ID: 4004075 | |
CIF file | Formula: - C36 H56 Ag Cl8 Fe N4 - Comments: Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials 34(6) (2022) 2813-2823 Space group: P 1 21 1 Cell volume: 2120.39 Cell parameters: 7.7313; 35.4619; 7.7347; 90; 90.807; 90; |
COD ID: 4004076 | |
CIF file | Formula: - C32 H48 Cl8 Fe N4 Na - Comments: Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials 34(6) (2022) 2813-2823 Space group: P 1 21/c 1 Cell volume: 2046.05 Cell parameters: 7.25334; 39.2496; 7.18736; 90; 90.6398; 90; |
COD ID: 4004077 | |
CIF file | Formula: - C8 H28 Ag Cl8 In N4 - Comments: Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials 34(6) (2022) 2813-2823 Space group: P -1 Cell volume: 549.06 Cell parameters: 7.7161; 7.8117; 9.3428; 102.735; 91.155; 90.898; |
COD ID: 4004078 | |
CIF file | Formula: - C8 H28 Ag Cl8 Fe N4 - Comments: Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials 34(6) (2022) 2813-2823 Space group: P -1 Cell volume: 1062.96 Cell parameters: 7.5923; 10.8224; 13.3237; 76.162; 89.632; 89.618; |
COD ID: 4004079 | |
CIF file | Formula: - Al3 K Na2 O12 Si3 - Comments: Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E. HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility Chemistry of Materials 34 (2022) 7159 Space group: P -1 Cell volume: 621.593 Cell parameters: 7.94578; 5.1687; 15.1654; 89.848; 93.6133; 89.9481; |
COD ID: 4004080 | |
CIF file | Formula: - Al3 K Na2 O12 Si3 - Comments: Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E. HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility Chemistry of Materials 34 (2022) 7159 Space group: P m n 21 Cell volume: 636.88 Cell parameters: 15.1422; 8.125613; 5.176215; 90; 90; 90; |
COD ID: 4004081 | |
CIF file | Formula: - Cs Gd S2 - Comments: Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials 34(4) (2022) 1829-1837 Space group: R -3 m :H Cell volume: 352.933 Cell parameters: 4.11724; 4.11724; 24.0408; 90; 90; 120; |
COD ID: 4004082 | |
CIF file | Formula: - Cs Gd S2 - Comments: Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials 34(4) (2022) 1829-1837 Space group: P 63/m m c Cell volume: 234.838 Cell parameters: 4.11494; 4.11494; 16.0144; 90; 90; 120; |
COD ID: 4004083 | |
CIF file | Formula: - Gd2 O2 S - Comments: Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials 34(4) (2022) 1829-1837 Space group: P -3 m 1 Cell volume: 85.729 Cell parameters: 3.8535; 3.8535; 6.6663; 90; 90; 120; |
COD ID: 4004084 | |
CIF file | Formula: - Gd2 O3 - Comments: Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials 34(4) (2022) 1829-1837 Space group: I a -3 Cell volume: 1263.67 Cell parameters: 10.8113; 10.8113; 10.8113; 90; 90; 90; |
COD ID: 4004085 | |
CIF file | Formula: - Gd2 S3 - Comments: Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials 34(4) (2022) 1829-1837 Space group: P n m a Cell volume: 441.25 Cell parameters: 7.3424; 3.93196; 15.2841; 90; 90; 90; |
COD ID: 4004086 | |
CIF file | Formula: - Gd10 S19 - Comments: Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials 34(4) (2022) 1829-1837 Space group: P 42/n :2 Cell volume: 1204.27 Cell parameters: 8.7147; 8.7147; 15.8569; 90; 90; 90; |
COD ID: 4004087 | |
CIF file | Formula: - Gd K S2 - Comments: Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials 34(4) (2022) 1829-1837 Space group: R -3 m :H Cell volume: 315.513 Cell parameters: 4.07711; 4.07711; 21.917; 90; 90; 120; |
COD ID: 4004088 | |
CIF file | Formula: - Gd Li S2 - Comments: Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials 34(4) (2022) 1829-1837 Space group: F m -3 m Cell volume: 169.101 Cell parameters: 5.52988; 5.52988; 5.52988; 90; 90; 90; |
COD ID: 4004089 | |
CIF file | Formula: - Gd Na S2 - Comments: Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials 34(4) (2022) 1829-1837 Space group: R -3 m :H Cell volume: 277.869 Cell parameters: 4.01349; 4.01349; 19.9189; 90; 90; 120; |
COD ID: 4004090 | |
CIF file | Formula: - Gd Rb S2 - Comments: Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials 34(4) (2022) 1829-1837 Space group: R -3 m :H Cell volume: 332.557 Cell parameters: 4.09729; 4.09729; 22.874; 90; 90; 120; |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!