Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
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|---|---|---|---|---|---|---|
| 1568158 | CIF | Ba0.63 Cu1.83 K0.87 S0.9 Se1.1 | P b a m | 7.483; 16.0919; 4.1041 90; 90; 90 | 494.2 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568159 | CIF | Cu10 K2 Se6 | P 42/m n m | 12.9183; 12.9183; 4.0117 90; 90; 90 | 669.48 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568160 | CIF | Cu6.09 Rb Se4 | I 4/m | 10.561; 10.561; 3.974 90; 90; 90 | 443.24 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568161 | CIF | Ba4 Cu12 Rb6 Se13 | I m -3 | 12.1735; 12.1735; 12.1735 90; 90; 90 | 1804.04 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568162 | CIF | Cu7.66 Na6 Se8 | P b a m | 7.417; 15.192; 3.9244 90; 90; 90 | 442.2 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568163 | CIF | Ba Cu7 K3 S6 | C 1 2/m 1 | 7.2523; 12.4863; 8.3687 90; 106.661; 90 | 726.01 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1570725 | CIF | C14 H18 Cl2 Ge I4 N2 | P 1 21/c 1 | 17.264; 8.1402; 8.3591 90; 99.694; 90 | 1158 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570726 | CIF | C14 H18 F2 Ge I4 N2 | P 1 21/c 1 | 16.58; 8.1987; 8.2557 90; 98.308; 90 | 1110.5 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570727 | CIF | C14 H18 Br2 Ge I4 N2 | P c c n | 34.5436; 8.1885; 8.2783 90; 90; 90 | 2341.6 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570728 | CIF | C16 H16 F6 Ge I4 N2 | P n a 21 | 35.387; 8.3595; 8.5792 90; 90; 90 | 2537.9 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570729 | CIF | C16 H22 Cl2 Ge I4 N2 | P n a 21 | 11.9349; 6.0242; 34.381 90; 90; 90 | 2471.9 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570730 | CIF | C14 H18 Cl2 Ge I4 N2 | P c c n | 34.1352; 8.1304; 8.3002 90; 90; 90 | 2303.58 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570731 | CIF | C16 H22 F2 Ge I4 N2 | P -1 | 11.971; 11.987; 16.761 79.689; 84.394; 89.99 | 2354.6 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570732 | CIF | C14 H18 F2 Ge I4 N2 | P 1 21/c 1 | 16.4276; 8.2654; 8.2637 90; 98.035; 90 | 1111.04 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570733 | CIF | C14 H18 Cl4 Cu F2 N2 | P n m a | 10.5352; 31.0969; 5.2099 90; 90; 90 | 1706.83 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570734 | CIF | C14 H18 Ge I6 N2 | C c c 2 | 8.4111; 34.575; 8.3164 90; 90; 90 | 2418.5 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570735 | CIF | C6 H10 Ge I4 N2 | P c a 21 | 17.9943; 10.2787; 8.054 90; 90; 90 | 1489.65 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570736 | CIF | C8 H24 Ge I4 N2 | P 21 21 21 | 8.2561; 8.6468; 27.5966 90; 90; 90 | 1970.09 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570737 | CIF | C14 H18 Cl2 Cs Ge2 I7 N2 | A e m 2 | 8.4068; 45.0015; 8.3314 90; 90; 90 | 3151.9 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570738 | CIF | C3 H18 Ge3 I9 N3 | R 3 m :H | 8.4602; 8.4602; 11.0201 90; 90; 120 | 683.09 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570739 | CIF | C28 H40 Ge3 I10 N4 | P 1 21 1 | 8.2572; 21.5648; 13.2995 90; 96.915; 90 | 2350.95 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570740 | CIF | C4 H14 Ge I6 N2 | P 1 21/n 1 | 8.1291; 8.8236; 25.322 90; 97.632; 90 | 1800.2 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570741 | CIF | C8 H20 Ge I4 N2 O2 | P 1 21/m 1 | 6.2764; 23.0661; 6.4271 90; 96.433; 90 | 924.61 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570742 | CIF | C4 H16 Ge I4 N2 O2 | P n m a | 13.0687; 19.3506; 6.103 90; 90; 90 | 1543.37 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570743 | CIF | C16 H24 Ge I4 N2 O2 | P -1 | 11.868; 11.9612; 17.2893 80.036; 76.75; 89.983 | 2350.96 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 1570744 | CIF | C12 H52 Ge3 I14 N8 O2 | P -1 | 8.389; 11.1217; 14.7309 90.206; 104.865; 109.288 | 1247.9 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 5900005 | CIF | C2 H6 N2 O2 | P 1 21/m 1 | 6.13; 6.48; 6.08 90; 114.55; 90 | 219.68 | Nature, 1947, 160, 826 |
| 9009219 | CIF | Fe5 Si3 | P 63/m c m | 6.7416; 6.7416; 4.7079 90; 90; 120 | 185.304 | Weill, A. R. Structure of the eta phase of the iron-silicon system Nature, 1943, 152, 413-413 |
| 9009220 | CIF | Ca2 O14 Ti4 Zr2 | C 1 2/c 1 | 12.4458; 7.2734; 11.3942 90; 100.533; 90 | 1014.06 | Rossell, H. J. Zirconolite - a fluorite-related superstructure Note polytype Zirconolite-2M Nature, 1980, 283, 282-283 |
| 9009221 | CIF | Al4 Fe21 H60 O110 P17 | P 63/m | 27.559; 27.559; 10.55 90; 90; 120 | 6939.21 | Moore P B; Shen J An X-ray structural study of cacoxenite, a mineral phosphate Nature, 1983, 306, 356-358 |
| 9011574 | CIF | Cr | P 63/m m c | 2.714; 2.714; 4.41 90; 90; 120 | 28.131 | Bradley, A. J.; Ollard, E. F. Allotropy of chromium Nature, 1926, 117, 122-122 |
| 9011575 | CIF | C | F d -3 m :1 | 3.56679; 3.56679; 3.56679 90; 90; 90 | 45.377 | Riley, D. P. Lattice constant of diamond and the C-C single bond Sample: at T = 18 C Nature, 1944, 153, 587-588 |
| 9011576 | CIF | Al Ca3 H34 O24.5 S1.5 | P 63/m c m | 11.23; 11.23; 10.72 90; 90; 120 | 1170.81 | Moore, A.; Taylor, H. F. W. Crystal structure of ettringite Nature, 1968, 218, 1048-1049 |
| 9011577 | CIF | C | P 63/m m c | 2.464; 2.464; 6.711 90; 90; 120 | 35.286 | Trucano, P.; Chen, R. Structure of graphite by neutron diffraction Note: natural crystals Nature, 1975, 258, 136-137 |
| 9011579 | CIF | Mg Na2 O12 Si5 | P 1 2/n 1 | 9.418; 8.647; 5.274 90; 108.13; 90 | 408.178 | Angel, R. J.; Gasparik, T.; Ross, N. L.; Finger, L. W.; Prewitt, C. T.; Hazen, R. M. A silica-rich sodium pyroxene phase with six-coordinated silicon Nature, 1988, 335, 156-158 |
| 9011580 | CIF | C60 | P a -3 | 14.04078; 14.04078; 14.04078 90; 90; 90 | 2768.05 | David, W. I. F.; Ibberson, R. M.; Matthewman, J. C.; Prassides, K.; Dennis, T. J. S.; Hare, J. P.; Kroto, H. W.; Taylor, R.; Walton, D. R. M. Crystal structure and bonding of ordered C60 Sample: at T = 5 K Note: phase: carbon C60 Nature, 1991, 353, 147-149 |
| 9011581 | CIF | Mg O3 Si | C 1 2/c 1 | 9.201; 8.621; 4.908 90; 101.5; 90 | 381.496 | Angel, R. J.; Chopelas, A.; Ross, N. L. Stability of high-density clinoenstatite at upper-mantle pressures Sample: P = 7.93 GPa Nature, 1992, 358, 322-324 |
| 9014578 | CIF | Cl H | F m -3 m | 5.482; 5.482; 5.482 90; 90; 90 | 164.747 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature, 1967, 213, 171-172 |
| 9015375 | CIF | Cl H | F m -3 m | 5.475; 5.475; 5.475 90; 90; 90 | 164.117 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature, 1967, 213, 171-172 |
| 9016278 | CIF | Al0.32 O2 Si0.68 | R -3 m :R | 9.4; 9.4; 9.4 94.3; 94.3; 94.3 | 823.197 | Dent, L. S.; Smith, J. V. Crystal structure of chabazite, a molecular sieve Note: extra-framework cations not located Nature, 1958, 181, 1794-1796 |
| 9016437 | CIF | Cl H | B b 21 m | 5.053; 5.373; 5.825 90; 90; 90 | 158.147 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K Nature, 1967, 213, 171-172 |
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